2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid

C9H6F4O3 — CID 84736706

IUPAC2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(F)(c1ccccc1O)C(F)(F)F
InChIInChI=1S/C9H6F4O3/c10-8(7(15)16,9(11,12)13)5-3-1-2-4-6(5)14/h1-4,14H,(H,15,16)
InChIKeyIALZLRCLTICZIR-UHFFFAOYSA-N
MW238.14 g/mol
LogP2.20
Rot. Bonds2

About 2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid

2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid (PubChem CID 84736706) has the molecular formula C9H6F4O3 and a molecular weight of 238.14 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid
PubChem CID84736706
Molecular FormulaC9H6F4O3
Molecular Weight238.14 g/mol
Exact Mass238.03
IUPAC Name2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(F)(c1ccccc1O)C(F)(F)F
InChIInChI=1S/C9H6F4O3/c10-8(7(15)16,9(11,12)13)5-3-1-2-4-6(5)14/h1-4,14H,(H,15,16)
InChIKeyIALZLRCLTICZIR-UHFFFAOYSA-N
XLogP2.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-3-(2-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 105487577
pentane;2,3,3,3-tetrafluoro-2-(2-fluorophenyl)propanoic acid
CID 175181509
2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid
CID 105493906
2-(trifluoromethyl)phenol
CID 162212145
2-(aminomethyl)-3-fluoro-2-(2-hydroxyphenyl)propanoic acid
CID 105466548
(2R)-2-amino-3,3,3-trifluoro-2-(2-fluorophenyl)propanoic acid
CID 95298200
2-(3-amino-1,1,1,2-tetrafluoropropan-2-yl)phenol
CID 84735412
phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747
2-[chloro(difluoro)methyl]phenol
CID 19981781
ethane;2-(trifluoromethyl)phenol
CID 142291947
2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid
CID 11484572
2-(2-hydroxyphenyl)-2-methylbutanoic acid
CID 83830636

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid (CID 84736706) is 2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid is O=C(O)C(F)(c1ccccc1O)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid?
The InChIKey is IALZLRCLTICZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O3/c10-8(7(15)16,9(11,12)13)5-3-1-2-4-6(5)14/h1-4,14H,(H,15,16).
What are the key properties of 2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid?
2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid has a molecular weight of 238.14 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 84736706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).