4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile

C15H15F2N — CID 19840872

IUPAC4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile
SMILESN#Cc1ccc(C2CCCC(C=C(F)F)C2)cc1
InChIInChI=1S/C15H15F2N/c16-15(17)9-12-2-1-3-14(8-12)13-6-4-11(10-18)5-7-13/h4-7,9,12,14H,1-3,8H2
InChIKeySTLZTIDMOBSXMG-UHFFFAOYSA-N
MW247.29 g/mol
LogP4.61
Rot. Bonds2

About 4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile

4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile (PubChem CID 19840872) has the molecular formula C15H15F2N and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile.

Molecular Properties

Compound Name4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile
PubChem CID19840872
Molecular FormulaC15H15F2N
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile
SMILESN#Cc1ccc(C2CCCC(C=C(F)F)C2)cc1
InChIInChI=1S/C15H15F2N/c16-15(17)9-12-2-1-3-14(8-12)13-6-4-11(10-18)5-7-13/h4-7,9,12,14H,1-3,8H2
InChIKeySTLZTIDMOBSXMG-UHFFFAOYSA-N
XLogP4.61
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[4-(2-cyano-2-fluoroethenyl)cyclohexyl]cyclohexyl]benzonitrile
CID 54128510
4-[(4aR,6R,8aR)-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzonitrile
CID 20809719
[3-(4-cyanophenyl)cyclobutyl] formate
CID 57281961
4-cyclohex-3-en-1-ylbenzonitrile
CID 10866986
(1S)-3-phenylcyclohexane-1-carbaldehyde
CID 57073826
4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile
CID 19798791
4-(4-methylcyclohexyl)benzonitrile
CID 18464047
4-[4-(4-cyano-4-fluorobut-3-enyl)-4-methoxycyclohexyl]benzonitrile
CID 54418828
4-[4-(6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]benzonitrile
CID 139870577
4-[3-[ethyl(naphthalen-2-yl)amino]cyclohexyl]benzonitrile
CID 68736357
4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]benzonitrile
CID 18179288
4-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]benzonitrile
CID 54204639

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile?
The IUPAC name of 4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile (CID 19840872) is 4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile.
What is the SMILES notation for 4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile?
The canonical SMILES for 4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile is N#Cc1ccc(C2CCCC(C=C(F)F)C2)cc1.
What is the InChIKey of 4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile?
The InChIKey is STLZTIDMOBSXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N/c16-15(17)9-12-2-1-3-14(8-12)13-6-4-11(10-18)5-7-13/h4-7,9,12,14H,1-3,8H2.
What are the key properties of 4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile?
4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile has a molecular weight of 247.29 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-difluoroethenyl)cyclohexyl]benzonitrile is sourced from PubChem (CID 19840872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).