(2S)-2-cyclohexyl-2-fluoroacetonitrile

C8H12FN — CID 11040792

IUPAC(2S)-2-cyclohexyl-2-fluoroacetonitrile
SMILESN#C[C@@H](F)C1CCCCC1
InChIInChI=1S/C8H12FN/c9-8(6-10)7-4-2-1-3-5-7/h7-8H,1-5H2/t8-/m1/s1
InChIKeyNJPRASTYCNOWIL-MRVPVSSYSA-N
MW141.19 g/mol
LogP2.43
Rot. Bonds1

About (2S)-2-cyclohexyl-2-fluoroacetonitrile

(2S)-2-cyclohexyl-2-fluoroacetonitrile (PubChem CID 11040792) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-fluoroacetonitrile.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-fluoroacetonitrile
PubChem CID11040792
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(2S)-2-cyclohexyl-2-fluoroacetonitrile
SMILESN#C[C@@H](F)C1CCCCC1
InChIInChI=1S/C8H12FN/c9-8(6-10)7-4-2-1-3-5-7/h7-8H,1-5H2/t8-/m1/s1
InChIKeyNJPRASTYCNOWIL-MRVPVSSYSA-N
XLogP2.43
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-2-fluoroacetonitrile
CID 115011030
2-fluoro-2-(thian-3-yl)acetonitrile
CID 115012460
2-cyclohexylpropanedinitrile
CID 11171058
2-(1,1-dioxothian-4-yl)-2-fluoroacetonitrile
CID 115018499
2-cyclohexylpropanedinitrile;methane
CID 142914800
(2S)-2-chloro-2-cyclohexylacetonitrile
CID 94056855
difluoromethylcyclohexane
CID 11804807
difluoromethylcyclopentadecane
CID 101486578
2-cyclobutyl-3-fluorobutanenitrile
CID 105428237
[chloro(fluoro)methyl]cyclohexane
CID 134937924
(2S)-2-cyclohexyl-2-(2-hydroxyethylsulfanyl)acetonitrile
CID 100977712
3-cyclohexyl-4-fluoropentanenitrile
CID 105440768

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-fluoroacetonitrile?
The IUPAC name of (2S)-2-cyclohexyl-2-fluoroacetonitrile (CID 11040792) is (2S)-2-cyclohexyl-2-fluoroacetonitrile.
What is the SMILES notation for (2S)-2-cyclohexyl-2-fluoroacetonitrile?
The canonical SMILES for (2S)-2-cyclohexyl-2-fluoroacetonitrile is N#C[C@@H](F)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-fluoroacetonitrile?
The InChIKey is NJPRASTYCNOWIL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12FN/c9-8(6-10)7-4-2-1-3-5-7/h7-8H,1-5H2/t8-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-fluoroacetonitrile?
(2S)-2-cyclohexyl-2-fluoroacetonitrile has a molecular weight of 141.19 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-fluoroacetonitrile is sourced from PubChem (CID 11040792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).