3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol

C8H13F2NO3 — CID 175955412

IUPAC3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol
SMILESOCC(F)(F)C1CC(O)CCC1=NO
InChIInChI=1S/C8H13F2NO3/c9-8(10,4-12)6-3-5(13)1-2-7(6)11-14/h5-6,12-14H,1-4H2
InChIKeyUWDWNZHRZPTEST-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.61
Rot. Bonds2

About 3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol

3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol (PubChem CID 175955412) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol.

Molecular Properties

Compound Name3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol
PubChem CID175955412
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol
SMILESOCC(F)(F)C1CC(O)CCC1=NO
InChIInChI=1S/C8H13F2NO3/c9-8(10,4-12)6-3-5(13)1-2-7(6)11-14/h5-6,12-14H,1-4H2
InChIKeyUWDWNZHRZPTEST-UHFFFAOYSA-N
XLogP0.61
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
3-(1,1-Difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
CID 175955273
3-(1,1-Difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol
CID 175955324
2-Hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
CID 175955358
3-(4-Hydroxybutyl)-5-hydroxyiminocyclohexan-1-ol
CID 173463139

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol?
The IUPAC name of 3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol (CID 175955412) is 3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol.
What is the SMILES notation for 3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol?
The canonical SMILES for 3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol is OCC(F)(F)C1CC(O)CCC1=NO.
What is the InChIKey of 3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol?
The InChIKey is UWDWNZHRZPTEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c9-8(10,4-12)6-3-5(13)1-2-7(6)11-14/h5-6,12-14H,1-4H2.
What are the key properties of 3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol?
3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol has a molecular weight of 209.19 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol is sourced from PubChem (CID 175955412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).