1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol

C12H14F3NO — CID 166783074

IUPAC1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC/N=C(/c1ccc(C(F)(F)F)cc1)C(C)O
InChIInChI=1S/C12H14F3NO/c1-3-16-11(8(2)17)9-4-6-10(7-5-9)12(13,14)15/h4-8,17H,3H2,1-2H3/b16-11+
InChIKeyCGTFIWAPPHZVAR-LFIBNONCSA-N
MW245.24 g/mol
LogP2.90
Rot. Bonds3

About 1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol

1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 166783074) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID166783074
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC/N=C(/c1ccc(C(F)(F)F)cc1)C(C)O
InChIInChI=1S/C12H14F3NO/c1-3-16-11(8(2)17)9-4-6-10(7-5-9)12(13,14)15/h4-8,17H,3H2,1-2H3/b16-11+
InChIKeyCGTFIWAPPHZVAR-LFIBNONCSA-N
XLogP2.90
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.90
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-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 166783074) is 1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol is CC/N=C(/c1ccc(C(F)(F)F)cc1)C(C)O.
What is the InChIKey of 1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is CGTFIWAPPHZVAR-LFIBNONCSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-3-16-11(8(2)17)9-4-6-10(7-5-9)12(13,14)15/h4-8,17H,3H2,1-2H3/b16-11+.
What are the key properties of 1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol?
1-ethylimino-1-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 245.24 g/mol, XLogP of 2.90, 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-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 166783074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).