3-cyclopropyl-4,4-difluorobutanenitrile

C7H9F2N — CID 105428729

IUPAC3-cyclopropyl-4,4-difluorobutanenitrile
SMILESN#CCC(C(F)F)C1CC1
InChIInChI=1S/C7H9F2N/c8-7(9)6(3-4-10)5-1-2-5/h5-7H,1-3H2
InChIKeyDNNYOCIMHLCWKA-UHFFFAOYSA-N
MW145.15 g/mol
LogP2.19
Rot. Bonds3

About 3-cyclopropyl-4,4-difluorobutanenitrile

3-cyclopropyl-4,4-difluorobutanenitrile (PubChem CID 105428729) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 3-cyclopropyl-4,4-difluorobutanenitrile.

Molecular Properties

Compound Name3-cyclopropyl-4,4-difluorobutanenitrile
PubChem CID105428729
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name3-cyclopropyl-4,4-difluorobutanenitrile
SMILESN#CCC(C(F)F)C1CC1
InChIInChI=1S/C7H9F2N/c8-7(9)6(3-4-10)5-1-2-5/h5-7H,1-3H2
InChIKeyDNNYOCIMHLCWKA-UHFFFAOYSA-N
XLogP2.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,4-difluorobutanenitrile?
The IUPAC name of 3-cyclopropyl-4,4-difluorobutanenitrile (CID 105428729) is 3-cyclopropyl-4,4-difluorobutanenitrile.
What is the SMILES notation for 3-cyclopropyl-4,4-difluorobutanenitrile?
The canonical SMILES for 3-cyclopropyl-4,4-difluorobutanenitrile is N#CCC(C(F)F)C1CC1.
What is the InChIKey of 3-cyclopropyl-4,4-difluorobutanenitrile?
The InChIKey is DNNYOCIMHLCWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c8-7(9)6(3-4-10)5-1-2-5/h5-7H,1-3H2.
What are the key properties of 3-cyclopropyl-4,4-difluorobutanenitrile?
3-cyclopropyl-4,4-difluorobutanenitrile has a molecular weight of 145.15 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,4-difluorobutanenitrile is sourced from PubChem (CID 105428729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).