3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol

C11H12FNO — CID 145146157

IUPAC3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol
SMILESC=C(O)/C(=N\CC)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-3-13-11(8(2)14)9-4-6-10(12)7-5-9/h4-7,14H,2-3H2,1H3/b13-11+
InChIKeyVBJGJKDJJDHUOX-ACCUITESSA-N
MW193.22 g/mol
LogP2.71
Rot. Bonds3

About 3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol

3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol (PubChem CID 145146157) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol.

Molecular Properties

Compound Name3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol
PubChem CID145146157
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol
SMILESC=C(O)/C(=N\CC)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-3-13-11(8(2)14)9-4-6-10(12)7-5-9/h4-7,14H,2-3H2,1H3/b13-11+
InChIKeyVBJGJKDJJDHUOX-ACCUITESSA-N
XLogP2.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.71
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol?
The IUPAC name of 3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol (CID 145146157) is 3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol.
What is the SMILES notation for 3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol?
The canonical SMILES for 3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol is C=C(O)/C(=N\CC)c1ccc(F)cc1.
What is the InChIKey of 3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol?
The InChIKey is VBJGJKDJJDHUOX-ACCUITESSA-N. The full InChI is InChI=1S/C11H12FNO/c1-3-13-11(8(2)14)9-4-6-10(12)7-5-9/h4-7,14H,2-3H2,1H3/b13-11+.
What are the key properties of 3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol?
3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol has a molecular weight of 193.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-3-(4-fluorophenyl)prop-1-en-2-ol is sourced from PubChem (CID 145146157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).