(1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile

C10H16FN — CID 137427490

IUPAC(1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile
SMILESCC1CCCC(F)[C@@H](C#N)CC1
InChIInChI=1S/C10H16FN/c1-8-3-2-4-10(11)9(7-12)6-5-8/h8-10H,2-6H2,1H3/t8?,9-,10?/m1/s1
InChIKeyJFCRBKAKDVDNQZ-HWOCKDDLSA-N
MW169.24 g/mol
LogP3.06
Rot. Bonds

About (1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile

(1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile (PubChem CID 137427490) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile.

Molecular Properties

Compound Name(1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile
PubChem CID137427490
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile
SMILESCC1CCCC(F)[C@@H](C#N)CC1
InChIInChI=1S/C10H16FN/c1-8-3-2-4-10(11)9(7-12)6-5-8/h8-10H,2-6H2,1H3/t8?,9-,10?/m1/s1
InChIKeyJFCRBKAKDVDNQZ-HWOCKDDLSA-N
XLogP3.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile?
The IUPAC name of (1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile (CID 137427490) is (1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile.
What is the SMILES notation for (1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile?
The canonical SMILES for (1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile is CC1CCCC(F)[C@@H](C#N)CC1.
What is the InChIKey of (1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile?
The InChIKey is JFCRBKAKDVDNQZ-HWOCKDDLSA-N. The full InChI is InChI=1S/C10H16FN/c1-8-3-2-4-10(11)9(7-12)6-5-8/h8-10H,2-6H2,1H3/t8?,9-,10?/m1/s1.
What are the key properties of (1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile?
(1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile has a molecular weight of 169.24 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile is sourced from PubChem (CID 137427490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).