1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile

C14H16FNO — CID 142504266

IUPAC1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile
SMILESCOc1ccc(C2(C#N)CCCCC2)cc1F
InChIInChI=1S/C14H16FNO/c1-17-13-6-5-11(9-12(13)15)14(10-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyBZAULSLVICNIOQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.56
Rot. Bonds2

About 1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile

1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile (PubChem CID 142504266) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile
PubChem CID142504266
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile
SMILESCOc1ccc(C2(C#N)CCCCC2)cc1F
InChIInChI=1S/C14H16FNO/c1-17-13-6-5-11(9-12(13)15)14(10-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyBZAULSLVICNIOQ-UHFFFAOYSA-N
XLogP3.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)cyclohexane-1-carbonitrile
CID 66685213
1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 83707869
1-(3-formyl-4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 140857950
1-(4-bromo-3-fluoro-5-methoxyphenyl)cyclobutane-1-carbonitrile
CID 84812777
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile
CID 154535456
1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile
CID 158197915
2-(3,4-dimethoxyphenyl)spiro[3.4]octane-2-carbonitrile
CID 65003162
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile
CID 28937677
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
CID 65377847
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile (CID 142504266) is 1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile is COc1ccc(C2(C#N)CCCCC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile?
The InChIKey is BZAULSLVICNIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-17-13-6-5-11(9-12(13)15)14(10-16)7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile?
1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile has a molecular weight of 233.29 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 142504266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).