(4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol

C6H10F3NO2 — CID 10921209

IUPAC(4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol
SMILESCC(CO)C/C(=N\O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(3-11)2-5(10-12)6(7,8)9/h4,11-12H,2-3H2,1H3/b10-5+
InChIKeyXHSPSAPYBNDFMY-BJMVGYQFSA-N
MW185.14 g/mol
LogP1.40
Rot. Bonds3

About (4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol

(4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol (PubChem CID 10921209) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is (4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol.

Molecular Properties

Compound Name(4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol
PubChem CID10921209
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name(4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol
SMILESCC(CO)C/C(=N\O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(3-11)2-5(10-12)6(7,8)9/h4,11-12H,2-3H2,1H3/b10-5+
InChIKeyXHSPSAPYBNDFMY-BJMVGYQFSA-N
XLogP1.40
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.40
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)-4,4-difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
CID 88812118
4,4-Difluoro-3-hydroxyimino-2,2-dimethylbutan-1-ol
CID 88812120
(5-Methyl-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)methanol
CID 90303125
2-(4,5-Dihydro-1,2-oxazol-3-yl)propan-1-ol
CID 130124486

Frequently Asked Questions

What is the IUPAC name of (4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol?
The IUPAC name of (4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol (CID 10921209) is (4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol.
What is the SMILES notation for (4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol?
The canonical SMILES for (4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol is CC(CO)C/C(=N\O)C(F)(F)F.
What is the InChIKey of (4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol?
The InChIKey is XHSPSAPYBNDFMY-BJMVGYQFSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(3-11)2-5(10-12)6(7,8)9/h4,11-12H,2-3H2,1H3/b10-5+.
What are the key properties of (4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol?
(4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol has a molecular weight of 185.14 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5,5,5-trifluoro-4-hydroxyimino-2-methylpentan-1-ol is sourced from PubChem (CID 10921209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).