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

C14H16FN — CID 65401046

IUPAC1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(Cc2cccc(F)c2)C1
InChIInChI=1S/C14H16FN/c1-11-5-6-14(8-11,10-16)9-12-3-2-4-13(15)7-12/h2-4,7,11H,5-6,8-9H2,1H3
InChIKeyREAOPXYMOIALID-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.70
Rot. Bonds2

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

1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile (PubChem CID 65401046) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile
PubChem CID65401046
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile
SMILESCC1CCC(C#N)(Cc2cccc(F)c2)C1
InChIInChI=1S/C14H16FN/c1-11-5-6-14(8-11,10-16)9-12-3-2-4-13(15)7-12/h2-4,7,11H,5-6,8-9H2,1H3
InChIKeyREAOPXYMOIALID-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile (CID 65401046) is 1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile is CC1CCC(C#N)(Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile?
The InChIKey is REAOPXYMOIALID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN/c1-11-5-6-14(8-11,10-16)9-12-3-2-4-13(15)7-12/h2-4,7,11H,5-6,8-9H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile?
1-[(3-fluorophenyl)methyl]-3-methylcyclopentane-1-carbonitrile has a molecular weight of 217.29 g/mol, XLogP of 3.70, 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]-3-methylcyclopentane-1-carbonitrile is sourced from PubChem (CID 65401046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).