2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid

C10H7F5O3 — CID 62396852

IUPAC2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)C(F)(F)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7F5O3/c11-9(12,8(17)18)7(16)5-2-1-3-6(4-5)10(13,14)15/h1-4,7,16H,(H,17,18)
InChIKeyFWKWDBDEHIKXRL-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.46
Rot. Bonds3

About 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid

2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid (PubChem CID 62396852) has the molecular formula C10H7F5O3 and a molecular weight of 270.15 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
PubChem CID62396852
Molecular FormulaC10H7F5O3
Molecular Weight270.15 g/mol
Exact Mass270.03
IUPAC Name2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
SMILESO=C(O)C(F)(F)C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7F5O3/c11-9(12,8(17)18)7(16)5-2-1-3-6(4-5)10(13,14)15/h1-4,7,16H,(H,17,18)
InChIKeyFWKWDBDEHIKXRL-UHFFFAOYSA-N
XLogP2.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 162511327
ethyl 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoate
CID 60723433
3-[4-(2-carboxy-2,2-difluoro-1-hydroxyethyl)phenyl]-2,2-difluoro-3-hydroxypropanoic acid
CID 11709619
2,2-difluoro-3-hydroxy-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 62397851
3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]butan-2-one
CID 71379717
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
CID 70513343
4-hydroxy-2,3-dimethyl-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 79414458
2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxylic acid
CID 107432177
2-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 166815793
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
(2R)-2-amino-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 175830853
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The IUPAC name of 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid (CID 62396852) is 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The canonical SMILES for 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid is O=C(O)C(F)(F)C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid?
The InChIKey is FWKWDBDEHIKXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O3/c11-9(12,8(17)18)7(16)5-2-1-3-6(4-5)10(13,14)15/h1-4,7,16H,(H,17,18).
What are the key properties of 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid?
2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid has a molecular weight of 270.15 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid is sourced from PubChem (CID 62396852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).