2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile

C7H14FNS — CID 131971167

IUPAC2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)S(C)(C)F
InChIInChI=1S/C7H14FNS/c1-5-7(2,6-9)10(3,4)8/h5H2,1-4H3
InChIKeyIECYVWAJYXWHKK-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.63
Rot. Bonds2

About 2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile

2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile (PubChem CID 131971167) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile
PubChem CID131971167
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)S(C)(C)F
InChIInChI=1S/C7H14FNS/c1-5-7(2,6-9)10(3,4)8/h5H2,1-4H3
InChIKeyIECYVWAJYXWHKK-UHFFFAOYSA-N
XLogP2.63
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

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Related Compounds

4,4,4-Trifluoro-2-methyl-2-methylsulfanylbutanenitrile
CID 123770431
3-[Fluoro(dimethyl)-lambda4-sulfanyl]butanenitrile
CID 129214772
4-[Fluoro(dimethyl)-lambda4-sulfanyl]butanenitrile
CID 129214775
4-[Difluoro(methyl)-lambda4-sulfanyl]butanenitrile
CID 130341683
2-[Difluoro(methyl)-lambda4-sulfanyl]-3-methylbutanedinitrile
CID 131971139
2-[[Fluoro(dimethyl)-lambda4-sulfanyl]methyl]butanedinitrile
CID 131971158
4-[Fluoro(dimethyl)-lambda4-sulfanyl]pentanenitrile
CID 131971159
2-[[Difluoro(methyl)-lambda4-sulfanyl]methyl]butanenitrile
CID 131971168
2-[Difluoro(methyl)-lambda4-sulfanyl]butanenitrile
CID 131971172
4-[Difluoro(methyl)-lambda4-sulfanyl]-4-methylpentanenitrile
CID 131971181
2-[Difluoro(methyl)-lambda4-sulfanyl]-2-methylbutanedinitrile
CID 131971182
2-[Fluoro(dimethyl)-lambda4-sulfanyl]-2-methylbutanedinitrile
CID 131971201

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile?
The IUPAC name of 2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile (CID 131971167) is 2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile.
What is the SMILES notation for 2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile?
The canonical SMILES for 2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile is CCC(C)(C#N)S(C)(C)F.
What is the InChIKey of 2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile?
The InChIKey is IECYVWAJYXWHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-5-7(2,6-9)10(3,4)8/h5H2,1-4H3.
What are the key properties of 2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile?
2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile has a molecular weight of 163.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(dimethyl)-λ4-sulfanyl]-2-methylbutanenitrile is sourced from PubChem (CID 131971167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).