1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile

C14H16FN — CID 65379302

IUPAC1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile
SMILESN#CC1(Cc2cccc(F)c2)CCCCC1
InChIInChI=1S/C14H16FN/c15-13-6-4-5-12(9-13)10-14(11-16)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2
InChIKeyOLJKHRQOLPOKRP-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.84
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile

1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile (PubChem CID 65379302) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile
PubChem CID65379302
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile
SMILESN#CC1(Cc2cccc(F)c2)CCCCC1
InChIInChI=1S/C14H16FN/c15-13-6-4-5-12(9-13)10-14(11-16)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2
InChIKeyOLJKHRQOLPOKRP-UHFFFAOYSA-N
XLogP3.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile
CID 65401046
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carbonitrile
CID 107898503
1-[(3-nitrophenyl)methyl]cyclohexane-1-carbonitrile
CID 65378878
1-[(2,3-difluorophenyl)methyl]cycloheptane-1-carbonitrile
CID 65390903
1-[(3-fluorophenyl)methyl]-2-oxocyclohexane-1-carbonitrile
CID 65394821
1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile
CID 121231102
1-[(4-ethylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65378669
1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile
CID 80601961
1-[(2,4-difluorophenyl)methyl]cyclopentane-1-carbonitrile
CID 65376601
1-[(3,4-dimethylphenyl)methyl]cyclooctane-1-carbonitrile
CID 80601404
1-[(3-fluorophenyl)methyl]-2-oxocyclopentane-1-carbonitrile
CID 65392755

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile (CID 65379302) is 1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile is N#CC1(Cc2cccc(F)c2)CCCCC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile?
The InChIKey is OLJKHRQOLPOKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c15-13-6-4-5-12(9-13)10-14(11-16)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile?
1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile has a molecular weight of 217.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 65379302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).