3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol

C10H17F2NO3 — CID 175955273

IUPAC3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
SMILESCOCCC(F)(F)C1CC(O)CCC1=NO
InChIInChI=1S/C10H17F2NO3/c1-16-5-4-10(11,12)8-6-7(14)2-3-9(8)13-15/h7-8,14-15H,2-6H2,1H3
InChIKeyPSLSEXKDXGYBOQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.65
Rot. Bonds4

About 3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol

3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol (PubChem CID 175955273) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol.

Molecular Properties

Compound Name3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
PubChem CID175955273
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
SMILESCOCCC(F)(F)C1CC(O)CCC1=NO
InChIInChI=1S/C10H17F2NO3/c1-16-5-4-10(11,12)8-6-7(14)2-3-9(8)13-15/h7-8,14-15H,2-6H2,1H3
InChIKeyPSLSEXKDXGYBOQ-UHFFFAOYSA-N
XLogP1.65
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.65
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

1-(1,1-Difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol
CID 163294894
1-(1,1-Difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
CID 163295074
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-(1,1-Difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol
CID 175955412
(3Z)-2-butyl-3-hydroxyiminocyclohexan-1-ol
CID 134992670
2-Hydroxyimino-5-pentylcyclohexan-1-ol
CID 85874775
(2Z)-1-cyclohexyl-2-hydroxyiminopropan-1-ol
CID 141788803
1-(2-Hydroxyiminocyclohexyl)propan-2-ol
CID 141839482
2-Hydroxyimino-5-nonylcyclohexan-1-ol
CID 153806183
5-Dodecyl-2-hydroxyiminocyclohexan-1-ol
CID 153806184
(1R,2R,5R)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methylcyclohexan-1-ol
CID 156535861

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol?
The IUPAC name of 3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol (CID 175955273) is 3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol.
What is the SMILES notation for 3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol?
The canonical SMILES for 3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol is COCCC(F)(F)C1CC(O)CCC1=NO.
What is the InChIKey of 3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol?
The InChIKey is PSLSEXKDXGYBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-16-5-4-10(11,12)8-6-7(14)2-3-9(8)13-15/h7-8,14-15H,2-6H2,1H3.
What are the key properties of 3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol?
3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol has a molecular weight of 237.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol is sourced from PubChem (CID 175955273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).