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

C8H13F2NO3 — CID 163294829

IUPAC1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol
SMILESOCC(F)(F)C1(O)CCC(=NO)CC1
InChIInChI=1S/C8H13F2NO3/c9-8(10,5-12)7(13)3-1-6(11-14)2-4-7/h12-14H,1-5H2/b11-6-
InChIKeyHLAMQFPVWHLWMI-WDZFZDKYSA-N
MW209.19 g/mol
LogP0.75
Rot. Bonds2

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

1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol (PubChem CID 163294829) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol
PubChem CID163294829
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol
SMILESOCC(F)(F)C1(O)CCC(=NO)CC1
InChIInChI=1S/C8H13F2NO3/c9-8(10,5-12)7(13)3-1-6(11-14)2-4-7/h12-14H,1-5H2/b11-6-
InChIKeyHLAMQFPVWHLWMI-WDZFZDKYSA-N
XLogP0.75
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 ≤ 50.75
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

N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine
CID 163294780
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
1-(1,1-Difluoro-3-methoxypropyl)-4-hydroxyiminocyclohexan-1-ol
CID 163295074
[4-Hydroxyimino-1-(trifluoromethyl)cyclohexyl]methanol
CID 163295578
4-Hydroxyimino-1-(1,1,2,2,2-pentafluoroethyl)cyclohexan-1-ol
CID 163295641
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
[2-Hydroxyimino-5-(trifluoromethyl)cyclohexyl]methanol
CID 175955449
1-Oxa-2-azaspiro[4.5]dec-2-en-3-ylmethanol
CID 102278696

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol?
The IUPAC name of 1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol (CID 163294829) is 1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol.
What is the SMILES notation for 1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol?
The canonical SMILES for 1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol is OCC(F)(F)C1(O)CCC(=NO)CC1.
What is the InChIKey of 1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol?
The InChIKey is HLAMQFPVWHLWMI-WDZFZDKYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c9-8(10,5-12)7(13)3-1-6(11-14)2-4-7/h12-14H,1-5H2/b11-6-.
What are the key properties of 1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol?
1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol has a molecular weight of 209.19 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-hydroxyethyl)-4-hydroxyiminocyclohexan-1-ol is sourced from PubChem (CID 163294829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).