[4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol

C8H12F3NO2 — CID 163295578

IUPAC[4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol
SMILESOCC1(C(F)(F)F)CCC(=NO)CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(5-13)3-1-6(12-14)2-4-7/h13-14H,1-5H2/b12-6-
InChIKeyUKWAOAYBACBWQP-SDQBBNPISA-N
MW211.18 g/mol
LogP1.93
Rot. Bonds1

About [4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol

[4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 163295578) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is [4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol
PubChem CID163295578
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name[4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol
SMILESOCC1(C(F)(F)F)CCC(=NO)CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(5-13)3-1-6(12-14)2-4-7/h13-14H,1-5H2/b12-6-
InChIKeyUKWAOAYBACBWQP-SDQBBNPISA-N
XLogP1.93
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 ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of [4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol (CID 163295578) is [4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol is OCC1(C(F)(F)F)CCC(=NO)CC1.
What is the InChIKey of [4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is UKWAOAYBACBWQP-SDQBBNPISA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)7(5-13)3-1-6(12-14)2-4-7/h13-14H,1-5H2/b12-6-.
What are the key properties of [4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol?
[4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 211.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 163295578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).