3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide

C9H9F2NO4 — CID 171868118

IUPAC3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(F)c(F)cc1O
InChIInChI=1S/C9H9F2NO4/c10-4-1-3(6(13)2-5(4)11)7(14)8(15)9(12)16/h1-2,7-8,13-15H,(H2,12,16)
InChIKeyBOBOXBJDUSZLEL-UHFFFAOYSA-N
MW233.17 g/mol
LogP-0.45
Rot. Bonds3

About 3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide

3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide (PubChem CID 171868118) has the molecular formula C9H9F2NO4 and a molecular weight of 233.17 g/mol. Its IUPAC name is 3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
PubChem CID171868118
Molecular FormulaC9H9F2NO4
Molecular Weight233.17 g/mol
Exact Mass233.05
IUPAC Name3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cc(F)c(F)cc1O
InChIInChI=1S/C9H9F2NO4/c10-4-1-3(6(13)2-5(4)11)7(14)8(15)9(12)16/h1-2,7-8,13-15H,(H2,12,16)
InChIKeyBOBOXBJDUSZLEL-UHFFFAOYSA-N
XLogP-0.45
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide (CID 171868118) is 3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cc(F)c(F)cc1O.
What is the InChIKey of 3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
The InChIKey is BOBOXBJDUSZLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4/c10-4-1-3(6(13)2-5(4)11)7(14)8(15)9(12)16/h1-2,7-8,13-15H,(H2,12,16).
What are the key properties of 3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide?
3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide has a molecular weight of 233.17 g/mol, XLogP of -0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-difluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).