2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol

C8H10F5NO2 — CID 175955358

IUPAC2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
SMILESON=C1CCC(C(F)(F)C(F)(F)F)CC1O
InChIInChI=1S/C8H10F5NO2/c9-7(10,8(11,12)13)4-1-2-5(14-16)6(15)3-4/h4,6,15-16H,1-3H2
InChIKeyFVOBQICPVCELSD-UHFFFAOYSA-N
MW247.16 g/mol
LogP2.18
Rot. Bonds1

About 2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol

2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol (PubChem CID 175955358) has the molecular formula C8H10F5NO2 and a molecular weight of 247.16 g/mol. Its IUPAC name is 2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
PubChem CID175955358
Molecular FormulaC8H10F5NO2
Molecular Weight247.16 g/mol
Exact Mass247.06
IUPAC Name2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
SMILESON=C1CCC(C(F)(F)C(F)(F)F)CC1O
InChIInChI=1S/C8H10F5NO2/c9-7(10,8(11,12)13)4-1-2-5(14-16)6(15)3-4/h4,6,15-16H,1-3H2
InChIKeyFVOBQICPVCELSD-UHFFFAOYSA-N
XLogP2.18
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 52.18
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,1-Difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol
CID 163294829
3-(1,1-Difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
CID 175955273
3-(1,1-Difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol
CID 175955324
3-(1,1-Difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol
CID 175955412
2-Hydroxyimino-5-pentylcyclohexan-1-ol
CID 85874775
2-Hydroxyimino-5-nonylcyclohexan-1-ol
CID 153806183
3-(4-Hydroxybutyl)-5-hydroxyiminocyclohexan-1-ol
CID 173463139

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
The IUPAC name of 2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol (CID 175955358) is 2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
The canonical SMILES for 2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol is ON=C1CCC(C(F)(F)C(F)(F)F)CC1O.
What is the InChIKey of 2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
The InChIKey is FVOBQICPVCELSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO2/c9-7(10,8(11,12)13)4-1-2-5(14-16)6(15)3-4/h4,6,15-16H,1-3H2.
What are the key properties of 2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol has a molecular weight of 247.16 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol is sourced from PubChem (CID 175955358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).