8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile

C11H18FN — CID 137427520

IUPAC8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile
SMILESCC1CCCC(F)C(C#N)C(C)C1
InChIInChI=1S/C11H18FN/c1-8-4-3-5-11(12)10(7-13)9(2)6-8/h8-11H,3-6H2,1-2H3
InChIKeyBABCLIVTXYIYPX-UHFFFAOYSA-N
MW183.27 g/mol
LogP3.31
Rot. Bonds

About 8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile

8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile (PubChem CID 137427520) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile.

Molecular Properties

Compound Name8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile
PubChem CID137427520
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile
SMILESCC1CCCC(F)C(C#N)C(C)C1
InChIInChI=1S/C11H18FN/c1-8-4-3-5-11(12)10(7-13)9(2)6-8/h8-11H,3-6H2,1-2H3
InChIKeyBABCLIVTXYIYPX-UHFFFAOYSA-N
XLogP3.31
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Butyl 3-methylpentanonitrile
CID 129662633
2-Cyclohexyl-2-fluoropropanenitrile
CID 84820326
10,10,10-Trifluoro-3,6-dimethyldecanenitrile
CID 130359029
(1R)-2-fluoro-6-methylcyclooctane-1-carbonitrile
CID 137427490
2,2-Difluoro-3-methyl-4-propyloctanenitrile
CID 143472243
2-Fluoro-4,6-dimethylcycloheptane-1-carbonitrile
CID 146499291
5-Fluoro-2-methylcycloheptane-1-carbonitrile
CID 154966748
trans-(1S,4S)-2-fluoro-4-propan-2-ylcyclohexane-1-carbonitrile
CID 155383200
9-Fluoro-4,7-dimethylnonanenitrile
CID 156326086
2-(2-Fluoropropan-2-yl)hexadecanenitrile
CID 156382587
5-Ethyl-6-fluoro-2-methylheptanenitrile
CID 156384171
3-Fluoro-4-propan-2-ylcyclohexane-1-carbonitrile
CID 172344713

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile?
The IUPAC name of 8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile (CID 137427520) is 8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile.
What is the SMILES notation for 8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile?
The canonical SMILES for 8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile is CC1CCCC(F)C(C#N)C(C)C1.
What is the InChIKey of 8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile?
The InChIKey is BABCLIVTXYIYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-8-4-3-5-11(12)10(7-13)9(2)6-8/h8-11H,3-6H2,1-2H3.
What are the key properties of 8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile?
8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile has a molecular weight of 183.27 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,4-dimethylcyclooctane-1-carbonitrile is sourced from PubChem (CID 137427520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).