1-ethylimino-1-(4-fluorophenyl)propan-2-ol

C11H14FNO — CID 152817869

IUPAC1-ethylimino-1-(4-fluorophenyl)propan-2-ol
SMILESCC/N=C(/c1ccc(F)cc1)C(C)O
InChIInChI=1S/C11H14FNO/c1-3-13-11(8(2)14)9-4-6-10(12)7-5-9/h4-8,14H,3H2,1-2H3/b13-11+
InChIKeySSXRMRIAPBPGII-ACCUITESSA-N
MW195.24 g/mol
LogP2.02
Rot. Bonds3

About 1-ethylimino-1-(4-fluorophenyl)propan-2-ol

1-ethylimino-1-(4-fluorophenyl)propan-2-ol (PubChem CID 152817869) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-ethylimino-1-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-ethylimino-1-(4-fluorophenyl)propan-2-ol
PubChem CID152817869
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-ethylimino-1-(4-fluorophenyl)propan-2-ol
SMILESCC/N=C(/c1ccc(F)cc1)C(C)O
InChIInChI=1S/C11H14FNO/c1-3-13-11(8(2)14)9-4-6-10(12)7-5-9/h4-8,14H,3H2,1-2H3/b13-11+
InChIKeySSXRMRIAPBPGII-ACCUITESSA-N
XLogP2.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.02
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-ethylimino-1-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-ethylimino-1-(4-fluorophenyl)propan-2-ol (CID 152817869) is 1-ethylimino-1-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-ethylimino-1-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-ethylimino-1-(4-fluorophenyl)propan-2-ol is CC/N=C(/c1ccc(F)cc1)C(C)O.
What is the InChIKey of 1-ethylimino-1-(4-fluorophenyl)propan-2-ol?
The InChIKey is SSXRMRIAPBPGII-ACCUITESSA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-13-11(8(2)14)9-4-6-10(12)7-5-9/h4-8,14H,3H2,1-2H3/b13-11+.
What are the key properties of 1-ethylimino-1-(4-fluorophenyl)propan-2-ol?
1-ethylimino-1-(4-fluorophenyl)propan-2-ol has a molecular weight of 195.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylimino-1-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 152817869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).