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1-(3-Fluorophenyl)-1-propanamine hydrochloride (1:1)

ChemSpider ID: 11577293
Molecular Formula: C₉H₁₃ClFN
Monoisotopic mass: 189.072052 Da
Systematic name

1-(3-Fluorophenyl)-1-propanamine hydrochloride (1:1)
SMILES and InChIs

SMILES:

Cl.NC(CC)c1cc(F)ccc1 Copied

Std. InChI:

InChI=1S/C9H12FN.ClH/c1-2-9(11)7-4-3-5-8(10)6-7;/h3-6,9H,2,11H2,1H3;1H Copied

Std. InChIKey:

ODZRCWFYKMOLKD-UHFFFAOYSA-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:	2.019	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):	0.01
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	1.00	ACD/KOC (pH 7.4):	2.90
#H bond acceptors:	1	#H bond donors:	2
#Freely Rotating Bonds:	3	Polar Surface Area:	26.02 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	101.5 °C	Enthalpy of Vaporization:	49.11 kJ/mol
Boiling Point:	244.3 °C at 760 mmHg	Vapour Pressure:	0.0245 mmHg at 25°C

Click to predict properties on the Chemicalize site

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