3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide

C10H12FNO4 — CID 171868077

IUPAC3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cccc(CO)c1F
InChIInChI=1S/C10H12FNO4/c11-7-5(4-13)2-1-3-6(7)8(14)9(15)10(12)16/h1-3,8-9,13-15H,4H2,(H2,12,16)
InChIKeyMUNDWULEYUTYHL-UHFFFAOYSA-N
MW229.21 g/mol
LogP-0.80
Rot. Bonds4

About 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide

3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide (PubChem CID 171868077) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide
PubChem CID171868077
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1cccc(CO)c1F
InChIInChI=1S/C10H12FNO4/c11-7-5(4-13)2-1-3-6(7)8(14)9(15)10(12)16/h1-3,8-9,13-15H,4H2,(H2,12,16)
InChIKeyMUNDWULEYUTYHL-UHFFFAOYSA-N
XLogP-0.80
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanoate
CID 171866017
4-amino-1-[2-fluoro-3-(hydroxymethyl)phenyl]butane-1,2-diol
CID 171881170
1-[2-fluoro-3-(hydroxymethyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170819789
3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide
CID 171867891
3-[2-(bromomethyl)phenyl]-2,3-dihydroxypropanamide
CID 171869229
1-[2-fluoro-3-(hydroxymethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890130
3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide
CID 171868513
2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide
CID 171869290
3-(2,4-difluoro-3-formylphenyl)-2,3-dihydroxypropanamide
CID 171868515
2-fluoro-3-(hydroxymethyl)benzoic acid
CID 2774489
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644
2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide
CID 171867982

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide?
The IUPAC name of 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide (CID 171868077) is 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide?
The canonical SMILES for 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1cccc(CO)c1F.
What is the InChIKey of 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide?
The InChIKey is MUNDWULEYUTYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c11-7-5(4-13)2-1-3-6(7)8(14)9(15)10(12)16/h1-3,8-9,13-15H,4H2,(H2,12,16).
What are the key properties of 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide?
3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide has a molecular weight of 229.21 g/mol, XLogP of -0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).