4,4-difluoroheptanenitrile

C7H11F2N — CID 116840828

IUPAC4,4-difluoroheptanenitrile
SMILESCCCC(F)(F)CCC#N
InChIInChI=1S/C7H11F2N/c1-2-4-7(8,9)5-3-6-10/h2-5H2,1H3
InChIKeyJYYXYDMNSGKUMO-UHFFFAOYSA-N
MW147.17 g/mol
LogP2.73
Rot. Bonds4

About 4,4-difluoroheptanenitrile

4,4-difluoroheptanenitrile (PubChem CID 116840828) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 4,4-difluoroheptanenitrile.

Molecular Properties

Compound Name4,4-difluoroheptanenitrile
PubChem CID116840828
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name4,4-difluoroheptanenitrile
SMILESCCCC(F)(F)CCC#N
InChIInChI=1S/C7H11F2N/c1-2-4-7(8,9)5-3-6-10/h2-5H2,1H3
InChIKeyJYYXYDMNSGKUMO-UHFFFAOYSA-N
XLogP2.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-methylpentan-2-ylamino)pentanenitrile
CID 115605289
4,4-dimethylpentanenitrile
CID 12656145
butanenitrile;ethane
CID 91457061
alumane;butanenitrile
CID 174728323
2-fluoro-2-(trifluoromethyl)pentanedinitrile
CID 102279394
butane;3-fluoropropanenitrile
CID 176659815
2,2-difluoropentylsilane
CID 173372570
4,4-dimethylpentanenitrile;2,2-dimethylpropane
CID 165090579
5-hydroxy-6-methyl-5-propyloctanenitrile
CID 139781343
5,5-difluorononane
CID 21410163
2,2-dimethylpentanedinitrile
CID 19809777
(E)-6,6-difluoronon-2-ene
CID 134343718

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoroheptanenitrile?
The IUPAC name of 4,4-difluoroheptanenitrile (CID 116840828) is 4,4-difluoroheptanenitrile.
What is the SMILES notation for 4,4-difluoroheptanenitrile?
The canonical SMILES for 4,4-difluoroheptanenitrile is CCCC(F)(F)CCC#N.
What is the InChIKey of 4,4-difluoroheptanenitrile?
The InChIKey is JYYXYDMNSGKUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-2-4-7(8,9)5-3-6-10/h2-5H2,1H3.
What are the key properties of 4,4-difluoroheptanenitrile?
4,4-difluoroheptanenitrile has a molecular weight of 147.17 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoroheptanenitrile is sourced from PubChem (CID 116840828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).