3-cyclohexyl-4-fluoropentanenitrile

C11H18FN — CID 105440768

IUPAC3-cyclohexyl-4-fluoropentanenitrile
SMILESCC(F)C(CC#N)C1CCCCC1
InChIInChI=1S/C11H18FN/c1-9(12)11(7-8-13)10-5-3-2-4-6-10/h9-11H,2-7H2,1H3
InChIKeyOWXNVPSUAYCTGU-UHFFFAOYSA-N
MW183.27 g/mol
LogP3.45
Rot. Bonds3

About 3-cyclohexyl-4-fluoropentanenitrile

3-cyclohexyl-4-fluoropentanenitrile (PubChem CID 105440768) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-cyclohexyl-4-fluoropentanenitrile.

Molecular Properties

Compound Name3-cyclohexyl-4-fluoropentanenitrile
PubChem CID105440768
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-cyclohexyl-4-fluoropentanenitrile
SMILESCC(F)C(CC#N)C1CCCCC1
InChIInChI=1S/C11H18FN/c1-9(12)11(7-8-13)10-5-3-2-4-6-10/h9-11H,2-7H2,1H3
InChIKeyOWXNVPSUAYCTGU-UHFFFAOYSA-N
XLogP3.45
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-cycloheptyl-4-methylpentanenitrile
CID 67965057
(3R)-3-cyclopentylbutanenitrile
CID 142587124
3-cyclopropyl-4,4-difluorobutanenitrile
CID 105428729
3-cyclohexyl-4-fluoro-4-methylpentanenitrile
CID 105450999
2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile
CID 81385869
3-(cyclohexylmethyl)-4-methylpentanenitrile
CID 67965037
3-cyclopentylpentanenitrile;ethane
CID 155599188
(2S)-2-cyclohexyl-2-fluoroacetonitrile
CID 11040792
2-cyclobutyl-3-fluorobutanenitrile
CID 105428237
3-cyclohexyl-4-methylpentan-1-ol
CID 121406245
3-[[(1R)-1-cycloheptylethyl]amino]propanenitrile
CID 81393320
difluoromethylcyclohexane;propane
CID 144840509

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-fluoropentanenitrile?
The IUPAC name of 3-cyclohexyl-4-fluoropentanenitrile (CID 105440768) is 3-cyclohexyl-4-fluoropentanenitrile.
What is the SMILES notation for 3-cyclohexyl-4-fluoropentanenitrile?
The canonical SMILES for 3-cyclohexyl-4-fluoropentanenitrile is CC(F)C(CC#N)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-fluoropentanenitrile?
The InChIKey is OWXNVPSUAYCTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-9(12)11(7-8-13)10-5-3-2-4-6-10/h9-11H,2-7H2,1H3.
What are the key properties of 3-cyclohexyl-4-fluoropentanenitrile?
3-cyclohexyl-4-fluoropentanenitrile has a molecular weight of 183.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-fluoropentanenitrile is sourced from PubChem (CID 105440768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).