4-fluoro-2,2-dimethylbutanenitrile

C6H10FN — CID 126977208

IUPAC4-fluoro-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCF
InChIInChI=1S/C6H10FN/c1-6(2,5-8)3-4-7/h3-4H2,1-2H3
InChIKeyKUVARPQERLDSDO-UHFFFAOYSA-N
MW115.15 g/mol
LogP1.90
Rot. Bonds2

About 4-fluoro-2,2-dimethylbutanenitrile

4-fluoro-2,2-dimethylbutanenitrile (PubChem CID 126977208) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is 4-fluoro-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-fluoro-2,2-dimethylbutanenitrile
PubChem CID126977208
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name4-fluoro-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCF
InChIInChI=1S/C6H10FN/c1-6(2,5-8)3-4-7/h3-4H2,1-2H3
InChIKeyKUVARPQERLDSDO-UHFFFAOYSA-N
XLogP1.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylpentanedinitrile
CID 19809777
4-fluoro-2-methyl-2-(methylideneamino)butanenitrile
CID 139406698
5-methoxy-2,2,5-trimethylhexanenitrile
CID 103017221
2,2-dimethyl-4-(methylamino)butanenitrile
CID 65247172
5-[fluoro(dimethyl)silyl]-2,2-dimethylpentanenitrile
CID 140812620
4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 65251542
4-ethylsulfonyl-2,2-dimethylbutanenitrile
CID 65263436
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314
4-(2-aminoethylsulfonyl)-2,2-dimethylbutanenitrile
CID 81174211
2,2-dimethyl-4-(2,3,4,5,6-pentafluoroanilino)butanenitrile
CID 115564371
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2-dimethylbutanenitrile
CID 102722169
2,2-dimethylpent-4-enenitrile;ethane
CID 144998306

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2-dimethylbutanenitrile?
The IUPAC name of 4-fluoro-2,2-dimethylbutanenitrile (CID 126977208) is 4-fluoro-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-fluoro-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-fluoro-2,2-dimethylbutanenitrile is CC(C)(C#N)CCF.
What is the InChIKey of 4-fluoro-2,2-dimethylbutanenitrile?
The InChIKey is KUVARPQERLDSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN/c1-6(2,5-8)3-4-7/h3-4H2,1-2H3.
What are the key properties of 4-fluoro-2,2-dimethylbutanenitrile?
4-fluoro-2,2-dimethylbutanenitrile has a molecular weight of 115.15 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2-dimethylbutanenitrile is sourced from PubChem (CID 126977208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).