1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile

C17H22FN — CID 65425616

IUPAC1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(Cc2ccccc2F)CC1
InChIInChI=1S/C17H22FN/c1-2-5-14-8-10-17(13-19,11-9-14)12-15-6-3-4-7-16(15)18/h3-4,6-7,14H,2,5,8-12H2,1H3
InChIKeyMJEPAJCDFOWLJA-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.87
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile

1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile (PubChem CID 65425616) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
PubChem CID65425616
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC Name1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(Cc2ccccc2F)CC1
InChIInChI=1S/C17H22FN/c1-2-5-14-8-10-17(13-19,11-9-14)12-15-6-3-4-7-16(15)18/h3-4,6-7,14H,2,5,8-12H2,1H3
InChIKeyMJEPAJCDFOWLJA-UHFFFAOYSA-N
XLogP4.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65425034
1-[(5-bromo-2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65423876
1-[(2-bromo-4-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424452
1-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424458
1-[(2,5-difluorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65392862
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424072
4-[(2-fluorophenyl)methyl]piperidine-4-carbonitrile;hydrochloride
CID 167993690
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile
CID 65423485
1-[(2-bromo-5-methoxyphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65423677
1-ethyl-4-propylcyclohexane-1-carbonitrile
CID 65425800
1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 82871247
1-[(3-nitrophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65423673

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile (CID 65425616) is 1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is MJEPAJCDFOWLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c1-2-5-14-8-10-17(13-19,11-9-14)12-15-6-3-4-7-16(15)18/h3-4,6-7,14H,2,5,8-12H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile?
1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 259.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 65425616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).