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

C8H10F5NO2 — CID 163295641

IUPAC4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
SMILESON=C1CCC(O)(C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C8H10F5NO2/c9-7(10,8(11,12)13)6(15)3-1-5(14-16)2-4-6/h15-16H,1-4H2/b14-5-
InChIKeyYGTJXWIRFQJEPU-RZNTYIFUSA-N
MW247.16 g/mol
LogP2.32
Rot. Bonds1

About 4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol

4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol (PubChem CID 163295641) has the molecular formula C8H10F5NO2 and a molecular weight of 247.16 g/mol. Its IUPAC name is 4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
PubChem CID163295641
Molecular FormulaC8H10F5NO2
Molecular Weight247.16 g/mol
Exact Mass247.06
IUPAC Name4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
SMILESON=C1CCC(O)(C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C8H10F5NO2/c9-7(10,8(11,12)13)6(15)3-1-5(14-16)2-4-6/h15-16H,1-4H2/b14-5-
InChIKeyYGTJXWIRFQJEPU-RZNTYIFUSA-N
XLogP2.32
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 ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
The IUPAC name of 4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol (CID 163295641) is 4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
The canonical SMILES for 4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol is ON=C1CCC(O)(C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
The InChIKey is YGTJXWIRFQJEPU-RZNTYIFUSA-N. The full InChI is InChI=1S/C8H10F5NO2/c9-7(10,8(11,12)13)6(15)3-1-5(14-16)2-4-6/h15-16H,1-4H2/b14-5-.
What are the key properties of 4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol?
4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol has a molecular weight of 247.16 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol is sourced from PubChem (CID 163295641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).