1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone

C11H12F3NO2 — CID 91727185

IUPAC1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone
SMILESCCNc1cc(O)c(C(=O)C(F)(F)F)cc1C
InChIInChI=1S/C11H12F3NO2/c1-3-15-8-5-9(16)7(4-6(8)2)10(17)11(12,13)14/h4-5,15-16H,3H2,1-2H3
InChIKeyFPWCBIUONMGRIQ-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.88
Rot. Bonds3

About 1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone

1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone (PubChem CID 91727185) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone
PubChem CID91727185
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone
SMILESCCNc1cc(O)c(C(=O)C(F)(F)F)cc1C
InChIInChI=1S/C11H12F3NO2/c1-3-15-8-5-9(16)7(4-6(8)2)10(17)11(12,13)14/h4-5,15-16H,3H2,1-2H3
InChIKeyFPWCBIUONMGRIQ-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone (CID 91727185) is 1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone is CCNc1cc(O)c(C(=O)C(F)(F)F)cc1C.
What is the InChIKey of 1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone?
The InChIKey is FPWCBIUONMGRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-3-15-8-5-9(16)7(4-6(8)2)10(17)11(12,13)14/h4-5,15-16H,3H2,1-2H3.
What are the key properties of 1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone?
1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone has a molecular weight of 247.22 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-2-hydroxy-5-methylphenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 91727185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).