2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile

C16H26FN — CID 56978976

IUPAC2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
SMILESCCCC1CCC(C2CCCC(C#N)C2F)CC1
InChIInChI=1S/C16H26FN/c1-2-4-12-7-9-13(10-8-12)15-6-3-5-14(11-18)16(15)17/h12-16H,2-10H2,1H3
InChIKeySZUVIXRUZCLVGC-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.87
Rot. Bonds3

About 2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile

2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile (PubChem CID 56978976) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
PubChem CID56978976
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile
SMILESCCCC1CCC(C2CCCC(C#N)C2F)CC1
InChIInChI=1S/C16H26FN/c1-2-4-12-7-9-13(10-8-12)15-6-3-5-14(11-18)16(15)17/h12-16H,2-10H2,1H3
InChIKeySZUVIXRUZCLVGC-UHFFFAOYSA-N
XLogP4.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile?
The IUPAC name of 2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile (CID 56978976) is 2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile is CCCC1CCC(C2CCCC(C#N)C2F)CC1.
What is the InChIKey of 2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile?
The InChIKey is SZUVIXRUZCLVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-2-4-12-7-9-13(10-8-12)15-6-3-5-14(11-18)16(15)17/h12-16H,2-10H2,1H3.
What are the key properties of 2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile?
2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile has a molecular weight of 251.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-propylcyclohexyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 56978976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).