2,2-difluoropentanenitrile

C5H7F2N — CID 88974983

IUPAC2,2-difluoropentanenitrile
SMILESCCCC(F)(F)C#N
InChIInChI=1S/C5H7F2N/c1-2-3-5(6,7)4-8/h2-3H2,1H3
InChIKeyVWFQPFRDTHVTGX-UHFFFAOYSA-N
MW119.11 g/mol
LogP1.95
Rot. Bonds2

About 2,2-difluoropentanenitrile

2,2-difluoropentanenitrile (PubChem CID 88974983) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is 2,2-difluoropentanenitrile.

Molecular Properties

Compound Name2,2-difluoropentanenitrile
PubChem CID88974983
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC Name2,2-difluoropentanenitrile
SMILESCCCC(F)(F)C#N
InChIInChI=1S/C5H7F2N/c1-2-3-5(6,7)4-8/h2-3H2,1H3
InChIKeyVWFQPFRDTHVTGX-UHFFFAOYSA-N
XLogP1.95
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-Trifluorobutanenitrile
CID 543096
5,5,5-Trifluoropentanenitrile
CID 11819135
2,2,3,3,4,4,5,5-Octafluoropentanenitrile
CID 2781241
3,3-Difluorobutanenitrile
CID 83855155
4-Fluoropentanenitrile
CID 84762016
3-Fluorobutanenitrile
CID 83855154
(2S)-2-fluoropentanenitrile
CID 11768508
5,5,6,6,6-Pentafluorohexanenitrile
CID 12017058
4,4,5,5,5-Pentafluoropentanenitrile
CID 15751741
3,3-Difluoroheptanenitrile
CID 21519120
2,2-Difluorobutanenitrile
CID 87152842
2,2,3,3,4-Pentafluorohexanenitrile
CID 87705357

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropentanenitrile?
The IUPAC name of 2,2-difluoropentanenitrile (CID 88974983) is 2,2-difluoropentanenitrile.
What is the SMILES notation for 2,2-difluoropentanenitrile?
The canonical SMILES for 2,2-difluoropentanenitrile is CCCC(F)(F)C#N.
What is the InChIKey of 2,2-difluoropentanenitrile?
The InChIKey is VWFQPFRDTHVTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N/c1-2-3-5(6,7)4-8/h2-3H2,1H3.
What are the key properties of 2,2-difluoropentanenitrile?
2,2-difluoropentanenitrile has a molecular weight of 119.11 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropentanenitrile is sourced from PubChem (CID 88974983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).