4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol

C6H11F2NO2 — CID 88812120

IUPAC4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
SMILESCC(C)(CO)C(=NO)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-6(2,3-10)4(9-11)5(7)8/h5,10-11H,3H2,1-2H3
InChIKeyHKFMPZOMVIORQI-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.10
Rot. Bonds3

About 4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol

4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol (PubChem CID 88812120) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
PubChem CID88812120
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
SMILESCC(C)(CO)C(=NO)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-6(2,3-10)4(9-11)5(7)8/h5,10-11H,3H2,1-2H3
InChIKeyHKFMPZOMVIORQI-UHFFFAOYSA-N
XLogP1.10
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.10
H-Bond Donors ≤ 52
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

(3E)-4-fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
CID 88811195
4-Fluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
CID 88811197
(NE)-N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 88811523
N-(1-fluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 88811524
(NE)-N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 88811801
N-(1,1-difluoro-4-methoxy-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 88811803
(3E)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
CID 88812118
(3Z)-3-hydroxyimino-2,2-dimethylbutan-1-ol
CID 134896876
(4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol
CID 10921209
3,4-dimethyl-4-(trifluoromethyl)-5H-1,2-oxazole
CID 151579195
(2Z)-2-methoxyimino-3,3-dimethylbutan-1-ol
CID 20584496
2-Methoxyimino-3,3-dimethylbutan-1-ol
CID 73688763

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol?
The IUPAC name of 4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol (CID 88812120) is 4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol?
The canonical SMILES for 4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol is CC(C)(CO)C(=NO)C(F)F.
What is the InChIKey of 4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol?
The InChIKey is HKFMPZOMVIORQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-6(2,3-10)4(9-11)5(7)8/h5,10-11H,3H2,1-2H3.
What are the key properties of 4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol?
4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol has a molecular weight of 167.16 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 88812120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).