2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid

C13H9F3O3S — CID 107432176

IUPAC2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3O3S/c14-13(15,16)8-3-1-2-7(6-8)10(17)11-9(12(18)19)4-5-20-11/h1-6,10,17H,(H,18,19)
InChIKeyPHPDWICTPJCWRF-UHFFFAOYSA-N
MW302.27 g/mol
LogP3.55
Rot. Bonds3

About 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid

2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid (PubChem CID 107432176) has the molecular formula C13H9F3O3S and a molecular weight of 302.27 g/mol. Its IUPAC name is 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid
PubChem CID107432176
Molecular FormulaC13H9F3O3S
Molecular Weight302.27 g/mol
Exact Mass302.02
IUPAC Name2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3O3S/c14-13(15,16)8-3-1-2-7(6-8)10(17)11-9(12(18)19)4-5-20-11/h1-6,10,17H,(H,18,19)
InChIKeyPHPDWICTPJCWRF-UHFFFAOYSA-N
XLogP3.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxylic acid
CID 107432177
thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62789605
2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 62396852
3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190498
(4-tert-butylthiadiazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 105092738
pyridin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11425288
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 107978303
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62491180
3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]butan-2-one
CID 71379717
1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-one
CID 70513343

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid (CID 107432176) is 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid is O=C(O)c1ccsc1C(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid?
The InChIKey is PHPDWICTPJCWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O3S/c14-13(15,16)8-3-1-2-7(6-8)10(17)11-9(12(18)19)4-5-20-11/h1-6,10,17H,(H,18,19).
What are the key properties of 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid?
2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid has a molecular weight of 302.27 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 107432176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).