2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide

C11H10F3NO4 — CID 171869028

IUPAC2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide
SMILESNC(=O)C(O)C(O)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO4/c12-11(13,14)9(18)6-3-1-5(2-4-6)7(16)8(17)10(15)19/h1-4,7-8,16-17H,(H2,15,19)
InChIKeyCEXSAXBHNIJYJO-UHFFFAOYSA-N
MW277.20 g/mol
LogP0.31
Rot. Bonds4

About 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide

2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide (PubChem CID 171869028) has the molecular formula C11H10F3NO4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide
PubChem CID171869028
Molecular FormulaC11H10F3NO4
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Name2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide
SMILESNC(=O)C(O)C(O)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H10F3NO4/c12-11(13,14)9(18)6-3-1-5(2-4-6)7(16)8(17)10(15)19/h1-4,7-8,16-17H,(H2,15,19)
InChIKeyCEXSAXBHNIJYJO-UHFFFAOYSA-N
XLogP0.31
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanoate
CID 171866964
3-[4-(2-chloroacetyl)phenyl]-2,3-dihydroxypropanamide
CID 171868481
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589
4-[4-(3-amino-1,2-dihydroxy-3-oxopropyl)phenyl]-4-oxobutanoic acid
CID 171869115
2,2,2-trifluoro-1-[4-(1-hydroxyprop-2-enyl)phenyl]ethanone
CID 156700420
2,3-dihydroxy-3-(4-phenylphenyl)propanamide
CID 171868964
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone
CID 158988709
2,3-dihydroxy-3-(4-nitrophenyl)propanamide
CID 171868264
3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867878
2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone
CID 15580662
3-[4-(2,2,2-trifluoroacetyl)phenyl]prop-2-enamide
CID 169482522
3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide
CID 171869160

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide?
The IUPAC name of 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide (CID 171869028) is 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide?
The canonical SMILES for 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide is NC(=O)C(O)C(O)c1ccc(C(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide?
The InChIKey is CEXSAXBHNIJYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO4/c12-11(13,14)9(18)6-3-1-5(2-4-6)7(16)8(17)10(15)19/h1-4,7-8,16-17H,(H2,15,19).
What are the key properties of 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide?
2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide has a molecular weight of 277.20 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanamide is sourced from PubChem (CID 171869028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).