2-fluoro-2-(trifluoromethyl)pentanedinitrile

C6H4F4N2 — CID 102279394

IUPAC2-fluoro-2-(trifluoromethyl)pentanedinitrile
SMILESN#CCCC(F)(C#N)C(F)(F)F
InChIInChI=1S/C6H4F4N2/c7-5(4-12,2-1-3-11)6(8,9)10/h1-2H2
InChIKeyNIWSPZSHKQMDRU-UHFFFAOYSA-N
MW180.10 g/mol
LogP2.08
Rot. Bonds2

About 2-fluoro-2-(trifluoromethyl)pentanedinitrile

2-fluoro-2-(trifluoromethyl)pentanedinitrile (PubChem CID 102279394) has the molecular formula C6H4F4N2 and a molecular weight of 180.10 g/mol. Its IUPAC name is 2-fluoro-2-(trifluoromethyl)pentanedinitrile.

Molecular Properties

Compound Name2-fluoro-2-(trifluoromethyl)pentanedinitrile
PubChem CID102279394
Molecular FormulaC6H4F4N2
Molecular Weight180.10 g/mol
Exact Mass180.03
IUPAC Name2-fluoro-2-(trifluoromethyl)pentanedinitrile
SMILESN#CCCC(F)(C#N)C(F)(F)F
InChIInChI=1S/C6H4F4N2/c7-5(4-12,2-1-3-11)6(8,9)10/h1-2H2
InChIKeyNIWSPZSHKQMDRU-UHFFFAOYSA-N
XLogP2.08
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoroheptanenitrile
CID 116840828
2,2-dimethylpentanedinitrile
CID 19809777
7,7,8,8,9,9,10,10,10-nonafluorodecanenitrile
CID 139685068
pentane-1,1,1,5-tetracarbonitrile
CID 175541123
4,4-dimethylpentanenitrile
CID 12656145
3-methylsulfanylpentane-1,3,5-tricarbonitrile
CID 146474780
2-hydroxy-2-methylpentanedinitrile
CID 23346026
4,4-dimethylpentanenitrile;2,2-dimethylpropane
CID 165090579
3-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononylphosphanyl)propanenitrile
CID 101363305
4,4-difluoro-4-phenylbutanenitrile
CID 116840833
CID 18951477
CID 18951477
4-amino-5,5-difluoro-4-methylpentanenitrile
CID 20725275

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(trifluoromethyl)pentanedinitrile?
The IUPAC name of 2-fluoro-2-(trifluoromethyl)pentanedinitrile (CID 102279394) is 2-fluoro-2-(trifluoromethyl)pentanedinitrile.
What is the SMILES notation for 2-fluoro-2-(trifluoromethyl)pentanedinitrile?
The canonical SMILES for 2-fluoro-2-(trifluoromethyl)pentanedinitrile is N#CCCC(F)(C#N)C(F)(F)F.
What is the InChIKey of 2-fluoro-2-(trifluoromethyl)pentanedinitrile?
The InChIKey is NIWSPZSHKQMDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2/c7-5(4-12,2-1-3-11)6(8,9)10/h1-2H2.
What are the key properties of 2-fluoro-2-(trifluoromethyl)pentanedinitrile?
2-fluoro-2-(trifluoromethyl)pentanedinitrile has a molecular weight of 180.10 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(trifluoromethyl)pentanedinitrile is sourced from PubChem (CID 102279394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).