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Search term: CHFJJXRKOFPIIQ (Found by InChIKey (skeleton match))

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- Double-bond stereo

(4Z)-5-Fluoro-4-hexenal

ChemSpider ID: 21408067
Molecular Formula: C₆H₉FO
Monoisotopic mass: 116.064002990723 Da
Systematic name

(4Z)-5-Fluoro-4-hexenal
SMILES and InChIs

SMILES:

C\C(F)=C\CCC=O Copied

Std. InChI:

InChI=1S/C6H9FO/c1-6(7)4-2-3-5-8/h4-5H,2-3H2,1H3/b6-4- Copied

Std. InChIKey:

CHFJJXRKOFPIIQ-XQRVVYSFSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	1.836	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	1.84	ACD/LogD (pH 7.4):	1.84
ACD/BCF (pH 5.5):	14.64	ACD/BCF (pH 7.4):	14.64
ACD/KOC (pH 5.5):	237.68	ACD/KOC (pH 7.4):	237.68
#H bond acceptors:	1	#H bond donors:	0
#Freely Rotating Bonds:	3	Polar Surface Area:	17.07 Å²
Index of Refraction:	1.401	Molar Refractivity:	30.097 cm³
Molar Volume:	123.758 cm³	Polarizability:	11.931 10^-24cm³
Surface Tension:	23.5559997558594 dyne/cm	Density:	0.938 g/cm³
Flash Point:	52.791 °C	Enthalpy of Vaporization:	37.782 kJ/mol
Boiling Point:	140.6 °C at 760 mmHg	Vapour Pressure:	6.08799982070923 mmHg at 25°C

Click to predict properties on the Chemicalize site

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