1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile

C14H16FNO — CID 65377847

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
SMILESCOc1ccc(CC2(C#N)CCCC2)cc1F
InChIInChI=1S/C14H16FNO/c1-17-13-5-4-11(8-12(13)15)9-14(10-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyGRIMVMUFUDWYNP-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.46
Rot. Bonds3

About 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile

1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile (PubChem CID 65377847) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
PubChem CID65377847
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile
SMILESCOc1ccc(CC2(C#N)CCCC2)cc1F
InChIInChI=1S/C14H16FNO/c1-17-13-5-4-11(8-12(13)15)9-14(10-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyGRIMVMUFUDWYNP-UHFFFAOYSA-N
XLogP3.46
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carbonitrile
CID 107898503
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
1-[(3,4-dimethylphenyl)methyl]cyclooctane-1-carbonitrile
CID 80601404
1-[(3-bromo-4-fluorophenyl)methyl]cyclobutane-1-carbonitrile
CID 65376198
1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 142504266
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62726185
1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837091
1-[(3-bromo-4-methoxyphenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65394935
3-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538891
1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile
CID 65377832
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 55260820
2-[1-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentyl]ethanamine
CID 65305595

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile (CID 65377847) is 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile is COc1ccc(CC2(C#N)CCCC2)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile?
The InChIKey is GRIMVMUFUDWYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-17-13-5-4-11(8-12(13)15)9-14(10-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile?
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentane-1-carbonitrile has a molecular weight of 233.29 g/mol, XLogP of 3.46, 3 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)methyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 65377847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).