(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile

C6H8F2N2O — CID 88812786

IUPAC(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)/C(=N\O)C(F)F
InChIInChI=1S/C6H8F2N2O/c1-6(2,3-9)4(10-11)5(7)8/h5,11H,1-2H3/b10-4-
InChIKeyQEUMYINSTKCFLH-WMZJFQQLSA-N
MW162.14 g/mol
LogP1.63
Rot. Bonds2

About (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile

(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile (PubChem CID 88812786) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile
PubChem CID88812786
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)/C(=N\O)C(F)F
InChIInChI=1S/C6H8F2N2O/c1-6(2,3-9)4(10-11)5(7)8/h5,11H,1-2H3/b10-4-
InChIKeyQEUMYINSTKCFLH-WMZJFQQLSA-N
XLogP1.63
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[1,1,4-trifluoro-3-(fluoromethyl)-3-methylbutan-2-ylidene]hydroxylamine
CID 88811768
2-fluoro-2-methylpropanenitrile
CID 10129896
3,4,4,4-tetrafluoro-2,2-dimethylbutanenitrile
CID 105433992
2-(1,1,1,3,3-pentafluoropropan-2-ylidene)propanedinitrile
CID 118589404
(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile
CID 10285802
2,2-dimethyl-3-sulfanylidenebutanenitrile
CID 154411588
2-(2-fluoropropan-2-yl)-2-hydroxypropanedinitrile
CID 10796849
3-(2-bromoprop-2-enylideneamino)-2,2-dimethylbut-3-enenitrile
CID 144556556
2,2-difluoro-3-oxobutanenitrile
CID 141364728
(NZ)-N-(1,1-difluoropropan-2-ylidene)hydroxylamine
CID 22769389
3-(difluoromethyl)-4,4-dimethylpent-2-enenitrile
CID 56980560
ethyl (2S,3S)-2-cyano-4,4,4-trifluoro-3-hydroxy-2-methylbutanoate
CID 101049295

Frequently Asked Questions

What is the IUPAC name of (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile?
The IUPAC name of (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile (CID 88812786) is (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile.
What is the SMILES notation for (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile?
The canonical SMILES for (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile is CC(C)(C#N)/C(=N\O)C(F)F.
What is the InChIKey of (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile?
The InChIKey is QEUMYINSTKCFLH-WMZJFQQLSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-6(2,3-9)4(10-11)5(7)8/h5,11H,1-2H3/b10-4-.
What are the key properties of (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile?
(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile has a molecular weight of 162.14 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutanenitrile is sourced from PubChem (CID 88812786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).