2,4-difluorobutanenitrile

C4H5F2N — CID 175233038

IUPAC2,4-difluorobutanenitrile
SMILESN#CC(F)CCF
InChIInChI=1S/C4H5F2N/c5-2-1-4(6)3-7/h4H,1-2H2
InChIKeyGACHGCJDBBAXEM-UHFFFAOYSA-N
MW105.09 g/mol
LogP1.21
Rot. Bonds2

About 2,4-difluorobutanenitrile

2,4-difluorobutanenitrile (PubChem CID 175233038) has the molecular formula C4H5F2N and a molecular weight of 105.09 g/mol. Its IUPAC name is 2,4-difluorobutanenitrile.

Molecular Properties

Compound Name2,4-difluorobutanenitrile
PubChem CID175233038
Molecular FormulaC4H5F2N
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name2,4-difluorobutanenitrile
SMILESN#CC(F)CCF
InChIInChI=1S/C4H5F2N/c5-2-1-4(6)3-7/h4H,1-2H2
InChIKeyGACHGCJDBBAXEM-UHFFFAOYSA-N
XLogP1.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile
CID 175318333
2,5-difluorohex-3-ynedinitrile
CID 142714209
2-fluoro-3-(4-fluorophenyl)propanenitrile
CID 115013228
1-bromo-2,4-difluorobutane
CID 84654528
1,2,4-trifluorobutane-1-thiol
CID 139415886
3-chloro-1,1,2,5-tetrafluoropentane
CID 156540413
2-chloro-1,4-difluorobutan-1-ol
CID 175305281
4,5,5-trifluoropentanenitrile
CID 84762482
4-[(1S)-1-amino-3-fluoropropyl]benzonitrile;hydrochloride
CID 171217694
3-(1,2,3-trifluoropropoxy)propanenitrile
CID 175462226
(2S)-3-(2-fluoroethylamino)-2-methylpropanenitrile
CID 147358419
2,4-difluoro-N-methylbutan-1-amine
CID 147861140

Frequently Asked Questions

What is the IUPAC name of 2,4-difluorobutanenitrile?
The IUPAC name of 2,4-difluorobutanenitrile (CID 175233038) is 2,4-difluorobutanenitrile.
What is the SMILES notation for 2,4-difluorobutanenitrile?
The canonical SMILES for 2,4-difluorobutanenitrile is N#CC(F)CCF.
What is the InChIKey of 2,4-difluorobutanenitrile?
The InChIKey is GACHGCJDBBAXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N/c5-2-1-4(6)3-7/h4H,1-2H2.
What are the key properties of 2,4-difluorobutanenitrile?
2,4-difluorobutanenitrile has a molecular weight of 105.09 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluorobutanenitrile is sourced from PubChem (CID 175233038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).