3-(1-fluorocyclohexyl)propanenitrile

C9H14FN — CID 84763610

IUPAC3-(1-fluorocyclohexyl)propanenitrile
SMILESN#CCCC1(F)CCCCC1
InChIInChI=1S/C9H14FN/c10-9(7-4-8-11)5-2-1-3-6-9/h1-7H2
InChIKeyVTUAMHWYCKCGAC-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.96
Rot. Bonds2

About 3-(1-fluorocyclohexyl)propanenitrile

3-(1-fluorocyclohexyl)propanenitrile (PubChem CID 84763610) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 3-(1-fluorocyclohexyl)propanenitrile.

Molecular Properties

Compound Name3-(1-fluorocyclohexyl)propanenitrile
PubChem CID84763610
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name3-(1-fluorocyclohexyl)propanenitrile
SMILESN#CCCC1(F)CCCCC1
InChIInChI=1S/C9H14FN/c10-9(7-4-8-11)5-2-1-3-6-9/h1-7H2
InChIKeyVTUAMHWYCKCGAC-UHFFFAOYSA-N
XLogP2.96
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorothian-4-yl)propanenitrile
CID 84766505
3-(3-fluoroazetidin-3-yl)propanenitrile;hydrochloride
CID 122239781
2-[(1-fluorocyclohexyl)methyl-methylamino]acetonitrile
CID 131084255
3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile
CID 13214164
3-(1-methylcyclobutyl)propanenitrile
CID 59843558
2-(1-fluorocyclohexyl)-N-methylethanamine
CID 84731476
7-[1-[1-(6-cyanohexyl)cyclohexadecyl]oxycyclohexadecyl]heptanenitrile
CID 67681122
2-cyano-N-[(1-fluorocyclobutyl)methyl]acetamide
CID 130666101
3-[2-(2-cyanoethyl)-2-ethyl-1-methylcyclobutyl]propanenitrile
CID 70894274
3-[(1R)-1-methyl-2-oxocyclopentyl]propanenitrile
CID 124706696
5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008
3-[1-[(dimethylamino)methyl]-2-oxocyclohexyl]propanenitrile
CID 13139343

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluorocyclohexyl)propanenitrile?
The IUPAC name of 3-(1-fluorocyclohexyl)propanenitrile (CID 84763610) is 3-(1-fluorocyclohexyl)propanenitrile.
What is the SMILES notation for 3-(1-fluorocyclohexyl)propanenitrile?
The canonical SMILES for 3-(1-fluorocyclohexyl)propanenitrile is N#CCCC1(F)CCCCC1.
What is the InChIKey of 3-(1-fluorocyclohexyl)propanenitrile?
The InChIKey is VTUAMHWYCKCGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c10-9(7-4-8-11)5-2-1-3-6-9/h1-7H2.
What are the key properties of 3-(1-fluorocyclohexyl)propanenitrile?
3-(1-fluorocyclohexyl)propanenitrile has a molecular weight of 155.22 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluorocyclohexyl)propanenitrile is sourced from PubChem (CID 84763610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).