4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile

C21H26FN — CID 19798791

IUPAC4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile
SMILESN#Cc1ccc(C2CCC(C3CCC(/C=C/F)CC3)CC2)cc1
InChIInChI=1S/C21H26FN/c22-14-13-16-1-5-18(6-2-16)20-9-11-21(12-10-20)19-7-3-17(15-23)4-8-19/h3-4,7-8,13-14,16,18,20-21H,1-2,5-6,9-12H2/b14-13+
InChIKeyPBEURAWZKOJCDV-BUHFOSPRSA-N
MW311.44 g/mol
LogP6.12
Rot. Bonds3

About 4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile

4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile (PubChem CID 19798791) has the molecular formula C21H26FN and a molecular weight of 311.44 g/mol. Its IUPAC name is 4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile
PubChem CID19798791
Molecular FormulaC21H26FN
Molecular Weight311.44 g/mol
Exact Mass311.20
IUPAC Name4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile
SMILESN#Cc1ccc(C2CCC(C3CCC(/C=C/F)CC3)CC2)cc1
InChIInChI=1S/C21H26FN/c22-14-13-16-1-5-18(6-2-16)20-9-11-21(12-10-20)19-7-3-17(15-23)4-8-19/h3-4,7-8,13-14,16,18,20-21H,1-2,5-6,9-12H2/b14-13+
InChIKeyPBEURAWZKOJCDV-BUHFOSPRSA-N
XLogP6.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.44
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile with MolForge

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Related Compounds

4-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]benzonitrile
CID 54204639
4-[4-[4-[(1E)-buta-1,3-dienyl]cyclohexyl]cyclohexyl]benzonitrile
CID 22915750
4-[4-[4-(2-cyano-2-fluoroethenyl)cyclohexyl]cyclohexyl]benzonitrile
CID 54128510
4-[4-(6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]benzonitrile
CID 139870577
4-[4-[4-[(E)-3-ethoxyprop-1-enyl]cyclohexyl]cyclohexyl]benzonitrile
CID 19097907
1-ethyl-4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzene
CID 19798836
4-[4-[2-[4-(4-cyanobuta-1,3-dienyl)cyclohexyl]ethenyl]cyclohexyl]benzonitrile
CID 54122592
4-[4-[(Z)-but-1-enyl]cyclohexyl]benzonitrile
CID 67925507
4-[4-[(E)-4,4-difluorobut-1-enyl]cyclohexyl]benzonitrile
CID 18179288
4-[4-[4-[(E)-3-(1,3-dioxan-2-yl)prop-1-enyl]cyclohexyl]cyclohexyl]benzonitrile
CID 19695572
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
(E)-3-[4-[4-(4-fluorophenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 19613534

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile?
The IUPAC name of 4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile (CID 19798791) is 4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile.
What is the SMILES notation for 4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile?
The canonical SMILES for 4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile is N#Cc1ccc(C2CCC(C3CCC(/C=C/F)CC3)CC2)cc1.
What is the InChIKey of 4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile?
The InChIKey is PBEURAWZKOJCDV-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H26FN/c22-14-13-16-1-5-18(6-2-16)20-9-11-21(12-10-20)19-7-3-17(15-23)4-8-19/h3-4,7-8,13-14,16,18,20-21H,1-2,5-6,9-12H2/b14-13+.
What are the key properties of 4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile?
4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile has a molecular weight of 311.44 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(E)-2-fluoroethenyl]cyclohexyl]cyclohexyl]benzonitrile is sourced from PubChem (CID 19798791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).