2-cyclohexyl-2-fluoropropanenitrile

C9H14FN — CID 84820326

IUPAC2-cyclohexyl-2-fluoropropanenitrile
SMILESCC(F)(C#N)C1CCCCC1
InChIInChI=1S/C9H14FN/c1-9(10,7-11)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyYWUADQQHXGJQMF-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.82
Rot. Bonds1

About 2-cyclohexyl-2-fluoropropanenitrile

2-cyclohexyl-2-fluoropropanenitrile (PubChem CID 84820326) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-cyclohexyl-2-fluoropropanenitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-fluoropropanenitrile
PubChem CID84820326
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name2-cyclohexyl-2-fluoropropanenitrile
SMILESCC(F)(C#N)C1CCCCC1
InChIInChI=1S/C9H14FN/c1-9(10,7-11)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyYWUADQQHXGJQMF-UHFFFAOYSA-N
XLogP2.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-fluoropropanenitrile?
The IUPAC name of 2-cyclohexyl-2-fluoropropanenitrile (CID 84820326) is 2-cyclohexyl-2-fluoropropanenitrile.
What is the SMILES notation for 2-cyclohexyl-2-fluoropropanenitrile?
The canonical SMILES for 2-cyclohexyl-2-fluoropropanenitrile is CC(F)(C#N)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-fluoropropanenitrile?
The InChIKey is YWUADQQHXGJQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-9(10,7-11)8-5-3-2-4-6-8/h8H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-2-fluoropropanenitrile?
2-cyclohexyl-2-fluoropropanenitrile has a molecular weight of 155.22 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-fluoropropanenitrile is sourced from PubChem (CID 84820326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).