3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol

C10H10FNO — CID 145145916

IUPAC3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol
SMILESC=C(O)/C(=N\C)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO/c1-7(13)10(12-2)8-3-5-9(11)6-4-8/h3-6,13H,1H2,2H3/b12-10+
InChIKeyOADDZRURELXUIE-ZRDIBKRKSA-N
MW179.19 g/mol
LogP2.32
Rot. Bonds2

About 3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol

3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol (PubChem CID 145145916) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol
PubChem CID145145916
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol
SMILESC=C(O)/C(=N\C)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO/c1-7(13)10(12-2)8-3-5-9(11)6-4-8/h3-6,13H,1H2,2H3/b12-10+
InChIKeyOADDZRURELXUIE-ZRDIBKRKSA-N
XLogP2.32
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol?
The IUPAC name of 3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol (CID 145145916) is 3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol?
The canonical SMILES for 3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol is C=C(O)/C(=N\C)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol?
The InChIKey is OADDZRURELXUIE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H10FNO/c1-7(13)10(12-2)8-3-5-9(11)6-4-8/h3-6,13H,1H2,2H3/b12-10+.
What are the key properties of 3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol?
3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol has a molecular weight of 179.19 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-methyliminoprop-1-en-2-ol is sourced from PubChem (CID 145145916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).