1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile

C14H16FNO — CID 158197915

IUPAC1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile
SMILESCOc1cccc(F)c1C1(C#N)CCCCC1
InChIInChI=1S/C14H16FNO/c1-17-12-7-5-6-11(15)13(12)14(10-16)8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3
InChIKeyUEUSDBWDJARGAA-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.56
Rot. Bonds2

About 1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile

1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile (PubChem CID 158197915) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile
PubChem CID158197915
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile
SMILESCOc1cccc(F)c1C1(C#N)CCCCC1
InChIInChI=1S/C14H16FNO/c1-17-12-7-5-6-11(15)13(12)14(10-16)8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3
InChIKeyUEUSDBWDJARGAA-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-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 142504266
1-(2-fluoro-4-hydroxy-6-methoxyphenyl)cyclobutane-1-carbonitrile
CID 84787792
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopropane-1-carbonitrile
CID 84787805
1-(2-fluoro-6-methoxyphenyl)cyclopropan-1-ol
CID 65434652
1-(2,3-difluorophenyl)cyclopentane-1-carbonitrile
CID 83412405
1-(2-chloro-6-methoxy-3-methylphenyl)cyclobutane-1-carbonitrile
CID 84797824
1-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropan-1-ol
CID 79333022
1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile
CID 28937677
2-fluoro-6-methoxybenzenediazonium
CID 168860936
1-[4-(2-fluoro-3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile
CID 169408855
1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile
CID 64560794
1-(2-hydroxy-3-methoxyphenyl)cyclopropane-1-carbonitrile
CID 131297017

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile (CID 158197915) is 1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile is COc1cccc(F)c1C1(C#N)CCCCC1.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile?
The InChIKey is UEUSDBWDJARGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-17-12-7-5-6-11(15)13(12)14(10-16)8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile?
1-(2-fluoro-6-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-(2-fluoro-6-methoxyphenyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 158197915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).