[2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol

C8H12F3NO2 — CID 175955449

IUPAC[2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol
SMILESOCC1CC(C(F)(F)F)CCC1=NO
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)6-1-2-7(12-14)5(3-6)4-13/h5-6,13-14H,1-4H2
InChIKeyMXBUKGWKVGGZEC-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.79
Rot. Bonds1

About [2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol

[2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 175955449) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is [2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol
PubChem CID175955449
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name[2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol
SMILESOCC1CC(C(F)(F)F)CCC1=NO
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)6-1-2-7(12-14)5(3-6)4-13/h5-6,13-14H,1-4H2
InChIKeyMXBUKGWKVGGZEC-UHFFFAOYSA-N
XLogP1.79
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.79
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

1-(1,1-Difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol
CID 163294829
[4-Hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol
CID 163295578
5-[2-(Hydroxyimino)cyclohexyl]pentan-1-OL
CID 71382136
[(1S,2Z)-2-hydroxyiminocyclohexyl]methanol
CID 133627145

Frequently Asked Questions

What is the IUPAC name of [2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol (CID 175955449) is [2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol is OCC1CC(C(F)(F)F)CCC1=NO.
What is the InChIKey of [2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is MXBUKGWKVGGZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)6-1-2-7(12-14)5(3-6)4-13/h5-6,13-14H,1-4H2.
What are the key properties of [2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol?
[2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 211.18 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 175955449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).