2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide

C9H8F3NO3 — CID 171867982

IUPAC2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide
SMILESNC(=O)C(O)C(O)c1c(F)ccc(F)c1F
InChIInChI=1S/C9H8F3NO3/c10-3-1-2-4(11)6(12)5(3)7(14)8(15)9(13)16/h1-2,7-8,14-15H,(H2,13,16)
InChIKeyIQSKCCWZXOCIOI-UHFFFAOYSA-N
MW235.16 g/mol
LogP-0.02
Rot. Bonds3

About 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide

2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide (PubChem CID 171867982) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide
PubChem CID171867982
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide
SMILESNC(=O)C(O)C(O)c1c(F)ccc(F)c1F
InChIInChI=1S/C9H8F3NO3/c10-3-1-2-4(11)6(12)5(3)7(14)8(15)9(13)16/h1-2,7-8,14-15H,(H2,13,16)
InChIKeyIQSKCCWZXOCIOI-UHFFFAOYSA-N
XLogP-0.02
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)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

methyl 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanoate
CID 171863882
3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide
CID 171868515
3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867878
3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171869280
methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680
ethyl 3-(3-amino-2,6-difluorophenyl)-2,3-dihydroxypropanoate
CID 171866170
3-[2,6-bis(trifluoromethyl)phenyl]-2,3-dihydroxypropanamide
CID 171869160
3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868510
3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867980
(3R)-3-amino-3-(2,3,6-trifluorophenyl)propanoic acid;hydrochloride
CID 162344590
3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide
CID 171868077
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867764

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide?
The IUPAC name of 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide (CID 171867982) is 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide?
The canonical SMILES for 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide is NC(=O)C(O)C(O)c1c(F)ccc(F)c1F.
What is the InChIKey of 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide?
The InChIKey is IQSKCCWZXOCIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c10-3-1-2-4(11)6(12)5(3)7(14)8(15)9(13)16/h1-2,7-8,14-15H,(H2,13,16).
What are the key properties of 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide?
2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide has a molecular weight of 235.16 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide is sourced from PubChem (CID 171867982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).