3,3-difluoro-2,2-dimethylpropanenitrile

C5H7F2N — CID 20767657

IUPAC3,3-difluoro-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)C(F)F
InChIInChI=1S/C5H7F2N/c1-5(2,3-8)4(6)7/h4H,1-2H3
InChIKeyKCKYBQZUHPXLRY-UHFFFAOYSA-N
MW119.11 g/mol
LogP1.80
Rot. Bonds1

About 3,3-difluoro-2,2-dimethylpropanenitrile

3,3-difluoro-2,2-dimethylpropanenitrile (PubChem CID 20767657) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethylpropanenitrile
PubChem CID20767657
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC Name3,3-difluoro-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)C(F)F
InChIInChI=1S/C5H7F2N/c1-5(2,3-8)4(6)7/h4H,1-2H3
InChIKeyKCKYBQZUHPXLRY-UHFFFAOYSA-N
XLogP1.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethylpropanenitrile?
The IUPAC name of 3,3-difluoro-2,2-dimethylpropanenitrile (CID 20767657) is 3,3-difluoro-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3,3-difluoro-2,2-dimethylpropanenitrile?
The canonical SMILES for 3,3-difluoro-2,2-dimethylpropanenitrile is CC(C)(C#N)C(F)F.
What is the InChIKey of 3,3-difluoro-2,2-dimethylpropanenitrile?
The InChIKey is KCKYBQZUHPXLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N/c1-5(2,3-8)4(6)7/h4H,1-2H3.
What are the key properties of 3,3-difluoro-2,2-dimethylpropanenitrile?
3,3-difluoro-2,2-dimethylpropanenitrile has a molecular weight of 119.11 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethylpropanenitrile is sourced from PubChem (CID 20767657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).