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

C10H17F2NO3 — CID 163295074

IUPAC1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
SMILESCOCCC(F)(F)C1(O)CCC(=NO)CC1
InChIInChI=1S/C10H17F2NO3/c1-16-7-6-10(11,12)9(14)4-2-8(13-15)3-5-9/h14-15H,2-7H2,1H3/b13-8-
InChIKeyKYUAPYFSMWPUJF-JYRVWZFOSA-N
MW237.25 g/mol
LogP1.79
Rot. Bonds4

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

1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol (PubChem CID 163295074) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
PubChem CID163295074
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
SMILESCOCCC(F)(F)C1(O)CCC(=NO)CC1
InChIInChI=1S/C10H17F2NO3/c1-16-7-6-10(11,12)9(14)4-2-8(13-15)3-5-9/h14-15H,2-7H2,1H3/b13-8-
InChIKeyKYUAPYFSMWPUJF-JYRVWZFOSA-N
XLogP1.79
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 ≤ 51.79
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

Ethanone, 1-(1-hydroxycyclohexyl)-, O-ethyloxime
CID 6510137
(NE)-N-[5-methoxy-1-[4-(trifluoromethyl)cyclohexyl]pentylidene]hydroxylamine
CID 140438395
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
1-(1,1-Difluoro-2-methoxyethyl)-4-hydroxyiminocyclohexan-1-ol
CID 163294894
N-(3,3-difluoro-1-oxaspiro[3.5]nonan-7-ylidene)hydroxylamine
CID 163295061
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
1-(N-ethoxy-C-methylcarbonimidoyl)cyclohexan-1-ol
CID 3074063
1-[(E)-N-ethoxy-C-methylcarbonimidoyl]cyclohexan-1-ol
CID 5747467

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol?
The IUPAC name of 1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol (CID 163295074) is 1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol.
What is the SMILES notation for 1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol?
The canonical SMILES for 1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol is COCCC(F)(F)C1(O)CCC(=NO)CC1.
What is the InChIKey of 1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol?
The InChIKey is KYUAPYFSMWPUJF-JYRVWZFOSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-16-7-6-10(11,12)9(14)4-2-8(13-15)3-5-9/h14-15H,2-7H2,1H3/b13-8-.
What are the key properties of 1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol?
1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol has a molecular weight of 237.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol is sourced from PubChem (CID 163295074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).