2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol

C10H10F3NO — CID 170062922

IUPAC2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol
SMILES[H]/N=C(\C)c1cccc(C(F)(F)CO)c1F
InChIInChI=1S/C10H10F3NO/c1-6(14)7-3-2-4-8(9(7)11)10(12,13)5-15/h2-4,14-15H,5H2,1H3/b14-6+
InChIKeyLRTJGIQSDXGZBU-MKMNVTDBSA-N
MW217.19 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol

2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol (PubChem CID 170062922) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol
PubChem CID170062922
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol
SMILES[H]/N=C(\C)c1cccc(C(F)(F)CO)c1F
InChIInChI=1S/C10H10F3NO/c1-6(14)7-3-2-4-8(9(7)11)10(12,13)5-15/h2-4,14-15H,5H2,1H3/b14-6+
InChIKeyLRTJGIQSDXGZBU-MKMNVTDBSA-N
XLogP2.30
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.30
H-Bond Donors ≤ 52
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 2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol?
The IUPAC name of 2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol (CID 170062922) is 2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol?
The canonical SMILES for 2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol is [H]/N=C(\C)c1cccc(C(F)(F)CO)c1F.
What is the InChIKey of 2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol?
The InChIKey is LRTJGIQSDXGZBU-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6(14)7-3-2-4-8(9(7)11)10(12,13)5-15/h2-4,14-15H,5H2,1H3/b14-6+.
What are the key properties of 2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol?
2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol has a molecular weight of 217.19 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethanimidoyl-2-fluorophenyl)-2,2-difluoroethanol is sourced from PubChem (CID 170062922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).