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

C9H15F2NO3 — CID 175955324

IUPAC3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol
SMILESCOCC(F)(F)C1CC(O)CCC1=NO
InChIInChI=1S/C9H15F2NO3/c1-15-5-9(10,11)7-4-6(13)2-3-8(7)12-14/h6-7,13-14H,2-5H2,1H3
InChIKeyWXZZSWARULGNSG-UHFFFAOYSA-N
MW223.22 g/mol
LogP1.26
Rot. Bonds3

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

3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol (PubChem CID 175955324) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol.

Molecular Properties

Compound Name3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol
PubChem CID175955324
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol
SMILESCOCC(F)(F)C1CC(O)CCC1=NO
InChIInChI=1S/C9H15F2NO3/c1-15-5-9(10,11)7-4-6(13)2-3-8(7)12-14/h6-7,13-14H,2-5H2,1H3
InChIKeyWXZZSWARULGNSG-UHFFFAOYSA-N
XLogP1.26
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
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

3-(1,1-Difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
CID 175955273
2-Hydroxyimino-5-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
CID 175955358
3-(1,1-Difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol
CID 175955412

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol?
The IUPAC name of 3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol (CID 175955324) is 3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol.
What is the SMILES notation for 3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol?
The canonical SMILES for 3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol is COCC(F)(F)C1CC(O)CCC1=NO.
What is the InChIKey of 3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol?
The InChIKey is WXZZSWARULGNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-15-5-9(10,11)7-4-6(13)2-3-8(7)12-14/h6-7,13-14H,2-5H2,1H3.
What are the key properties of 3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol?
3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol has a molecular weight of 223.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol is sourced from PubChem (CID 175955324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).