[1-(2,3-difluorophenyl)ethylideneamino]methanol

C9H9F2NO — CID 173483729

IUPAC[1-(2,3-difluorophenyl)ethylideneamino]methanol
SMILESCC(=NCO)c1cccc(F)c1F
InChIInChI=1S/C9H9F2NO/c1-6(12-5-13)7-3-2-4-8(10)9(7)11/h2-4,13H,5H2,1H3
InChIKeyDUHKIJKMJOGPPN-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.72
Rot. Bonds2

About [1-(2,3-difluorophenyl)ethylideneamino]methanol

[1-(2,3-difluorophenyl)ethylideneamino]methanol (PubChem CID 173483729) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is [1-(2,3-difluorophenyl)ethylideneamino]methanol.

Molecular Properties

Compound Name[1-(2,3-difluorophenyl)ethylideneamino]methanol
PubChem CID173483729
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name[1-(2,3-difluorophenyl)ethylideneamino]methanol
SMILESCC(=NCO)c1cccc(F)c1F
InChIInChI=1S/C9H9F2NO/c1-6(12-5-13)7-3-2-4-8(10)9(7)11/h2-4,13H,5H2,1H3
InChIKeyDUHKIJKMJOGPPN-UHFFFAOYSA-N
XLogP1.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluorophenyl)ethylideneamino]methanol?
The IUPAC name of [1-(2,3-difluorophenyl)ethylideneamino]methanol (CID 173483729) is [1-(2,3-difluorophenyl)ethylideneamino]methanol.
What is the SMILES notation for [1-(2,3-difluorophenyl)ethylideneamino]methanol?
The canonical SMILES for [1-(2,3-difluorophenyl)ethylideneamino]methanol is CC(=NCO)c1cccc(F)c1F.
What is the InChIKey of [1-(2,3-difluorophenyl)ethylideneamino]methanol?
The InChIKey is DUHKIJKMJOGPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-6(12-5-13)7-3-2-4-8(10)9(7)11/h2-4,13H,5H2,1H3.
What are the key properties of [1-(2,3-difluorophenyl)ethylideneamino]methanol?
[1-(2,3-difluorophenyl)ethylideneamino]methanol has a molecular weight of 185.17 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-difluorophenyl)ethylideneamino]methanol is sourced from PubChem (CID 173483729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).