3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid

C10H9F3O4 — CID 79366363

IUPAC3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid
SMILESO=C(O)C(F)C(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H9F3O4/c11-7(9(15)16)8(14)5-1-3-6(4-2-5)17-10(12)13/h1-4,7-8,10,14H,(H,15,16)
InChIKeyPQQKEXWWFVXXHU-UHFFFAOYSA-N
MW250.17 g/mol
LogP1.74
Rot. Bonds5

About 3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid

3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid (PubChem CID 79366363) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid
PubChem CID79366363
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid
SMILESO=C(O)C(F)C(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H9F3O4/c11-7(9(15)16)8(14)5-1-3-6(4-2-5)17-10(12)13/h1-4,7-8,10,14H,(H,15,16)
InChIKeyPQQKEXWWFVXXHU-UHFFFAOYSA-N
XLogP1.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-[4-(difluoromethoxy)phenyl]-3-hydroxy-2-methylpropanoic acid
CID 94426491
(2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoic acid
CID 13118566
(1S,2R)-2-amino-1-[4-(difluoromethoxy)phenyl]propan-1-ol
CID 28743825
3-[4-(difluoromethoxy)phenyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanoic acid
CID 176955943
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
S-[3-[4-(difluoromethoxy)phenyl]-2,3-dihydroxypropyl] ethanethioate
CID 170822292
4-chloro-1-[4-(difluoromethoxy)phenyl]butane-1,2-diol
CID 171894158
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503
2-(aminomethyl)-1-[4-(difluoromethoxy)phenyl]butan-1-ol
CID 79135604
4-amino-4-[4-(difluoromethoxy)phenyl]butanoic acid
CID 117364214
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid (CID 79366363) is 3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid is O=C(O)C(F)C(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid?
The InChIKey is PQQKEXWWFVXXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4/c11-7(9(15)16)8(14)5-1-3-6(4-2-5)17-10(12)13/h1-4,7-8,10,14H,(H,15,16).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid?
3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid has a molecular weight of 250.17 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-2-fluoro-3-hydroxypropanoic acid is sourced from PubChem (CID 79366363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).