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

C9H15F2NO3 — CID 163294894

IUPAC1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol
SMILESCOCC(F)(F)C1(O)CCC(=NO)CC1
InChIInChI=1S/C9H15F2NO3/c1-15-6-9(10,11)8(13)4-2-7(12-14)3-5-8/h13-14H,2-6H2,1H3/b12-7-
InChIKeySOTPVJNYLSCGQP-GHXNOFRVSA-N
MW223.22 g/mol
LogP1.40
Rot. Bonds3

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

1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol (PubChem CID 163294894) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol
PubChem CID163294894
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol
SMILESCOCC(F)(F)C1(O)CCC(=NO)CC1
InChIInChI=1S/C9H15F2NO3/c1-15-6-9(10,11)8(13)4-2-7(12-14)3-5-8/h13-14H,2-6H2,1H3/b12-7-
InChIKeySOTPVJNYLSCGQP-GHXNOFRVSA-N
XLogP1.40
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 ≤ 51.40
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

N-(3,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine
CID 163294757
N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine
CID 163294780
1-(1,1-Difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol
CID 163294829
N-(3,3-difluoro-1-oxaspiro[3.5]nonan-7-ylidene)hydroxylamine
CID 163295061
1-(1,1-Difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
CID 163295074
4-Hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
CID 163295641
3-(1,1-Difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
CID 175955273

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol?
The IUPAC name of 1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol (CID 163294894) is 1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol.
What is the SMILES notation for 1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol?
The canonical SMILES for 1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol is COCC(F)(F)C1(O)CCC(=NO)CC1.
What is the InChIKey of 1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol?
The InChIKey is SOTPVJNYLSCGQP-GHXNOFRVSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-15-6-9(10,11)8(13)4-2-7(12-14)3-5-8/h13-14H,2-6H2,1H3/b12-7-.
What are the key properties of 1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol?
1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol has a molecular weight of 223.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol is sourced from PubChem (CID 163294894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).