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- Double-bond stereo

(3Z)-3-(2-Chloro-1-fluoroethylidene)quinuclidine

ChemSpider ID: 15871248
Molecular Formula: C₉H₁₃ClFN
Monoisotopic mass: 189.072052 Da
Systematic name

(3Z)-3-(2-Chloro-1-fluoroethylidene)quinuclidine
SMILES and InChIs

SMILES:

ClCC(\F)=C2\CN1CCC2CC1 Copied

Std. InChI:

InChI=1S/C9H13ClFN/c10-5-9(11)8-6-12-3-1-7(8)2-4-12/h7H,1-6H2/b9-8+ Copied

Std. InChIKey:

HECLHIBBZOKENV-CMDGGOBGSA-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:	2.745	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	1.31	ACD/LogD (pH 7.4):	2.62
ACD/BCF (pH 5.5):	2.62	ACD/BCF (pH 7.4):	53.57
ACD/KOC (pH 5.5):	27.03	ACD/KOC (pH 7.4):	553.45
#H bond acceptors:	1	#H bond donors:	0
#Freely Rotating Bonds:	1	Polar Surface Area:	3.24 Å²
Index of Refraction:	1.522	Molar Refractivity:	47.896 cm³
Molar Volume:	157.02 cm³	Polarizability:	18.987 10^-24cm³
Surface Tension:	35.742000579834 dyne/cm	Density:	1.208 g/cm³
Flash Point:	108.234 °C	Enthalpy of Vaporization:	49.282 kJ/mol
Boiling Point:	255.354 °C at 760 mmHg	Vapour Pressure:	0.0160000007599592 mmHg at 25°C

Click to predict properties on the Chemicalize site

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