4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid

C9H7F3O3 — CID 174573834

IUPAC4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid
SMILESO=C(O)c1ccc(O)c(CC(F)(F)F)c1
InChIInChI=1S/C9H7F3O3/c10-9(11,12)4-6-3-5(8(14)15)1-2-7(6)13/h1-3,13H,4H2,(H,14,15)
InChIKeyAWCMPJDBNIGJOB-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.20
Rot. Bonds2

About 4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid

4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid (PubChem CID 174573834) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is 4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid
PubChem CID174573834
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid
SMILESO=C(O)c1ccc(O)c(CC(F)(F)F)c1
InChIInChI=1S/C9H7F3O3/c10-9(11,12)4-6-3-5(8(14)15)1-2-7(6)13/h1-3,13H,4H2,(H,14,15)
InChIKeyAWCMPJDBNIGJOB-UHFFFAOYSA-N
XLogP2.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(2,2,2-trifluoroethyl)benzoic acid
CID 91883693
3-[[2-[(5-carboxy-2-hydroxyphenyl)methylamino]ethylamino]methyl]-4-hydroxybenzoic acid
CID 102164830
4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987
3-ethyl-4-hydroxybenzoic acid;4-hydroxy-3-methylbenzoic acid
CID 70424443
3-(2-aminoethynyl)-4-(2,2,2-trifluoroethyl)benzoic acid
CID 174537633
3-(diazenylmethyl)-4-hydroxybenzoic acid
CID 123518524
4-hydroxy-3-(2-nitroethyl)benzoic acid
CID 174575556
5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid
CID 91883399
benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
3,4-bis(fluoromethyl)benzoic acid
CID 67445489
3-(2,2,2-trifluoroethyl)benzoic acid
CID 14087914

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid?
The IUPAC name of 4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid (CID 174573834) is 4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid.
What is the SMILES notation for 4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid?
The canonical SMILES for 4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid is O=C(O)c1ccc(O)c(CC(F)(F)F)c1.
What is the InChIKey of 4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid?
The InChIKey is AWCMPJDBNIGJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c10-9(11,12)4-6-3-5(8(14)15)1-2-7(6)13/h1-3,13H,4H2,(H,14,15).
What are the key properties of 4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid?
4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid has a molecular weight of 220.15 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 4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid is sourced from PubChem (CID 174573834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).