4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile

C7H14FNS — CID 131971159

IUPAC4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile
SMILESCC(CCC#N)S(C)(C)F
InChIInChI=1S/C7H14FNS/c1-7(5-4-6-9)10(2,3)8/h7H,4-5H2,1-3H3
InChIKeyIZZHBDVVIFQQHK-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.63
Rot. Bonds3

About 4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile

4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile (PubChem CID 131971159) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile.

Molecular Properties

Compound Name4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile
PubChem CID131971159
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile
SMILESCC(CCC#N)S(C)(C)F
InChIInChI=1S/C7H14FNS/c1-7(5-4-6-9)10(2,3)8/h7H,4-5H2,1-3H3
InChIKeyIZZHBDVVIFQQHK-UHFFFAOYSA-N
XLogP2.63
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile?
The IUPAC name of 4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile (CID 131971159) is 4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile.
What is the SMILES notation for 4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile?
The canonical SMILES for 4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile is CC(CCC#N)S(C)(C)F.
What is the InChIKey of 4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile?
The InChIKey is IZZHBDVVIFQQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-7(5-4-6-9)10(2,3)8/h7H,4-5H2,1-3H3.
What are the key properties of 4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile?
4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile has a molecular weight of 163.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(dimethyl)-λ4-sulfanyl]pentanenitrile is sourced from PubChem (CID 131971159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).