4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid

C12H7F3O3S — CID 53222060

IUPAC4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(O)cc(C(F)(F)F)c2)cs1
InChIInChI=1S/C12H7F3O3S/c13-12(14,15)8-1-6(2-9(16)4-8)7-3-10(11(17)18)19-5-7/h1-5,16H,(H,17,18)
InChIKeyVMKFYBTVKGMUKH-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.84
Rot. Bonds2

About 4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid

4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid (PubChem CID 53222060) has the molecular formula C12H7F3O3S and a molecular weight of 288.25 g/mol. Its IUPAC name is 4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
PubChem CID53222060
Molecular FormulaC12H7F3O3S
Molecular Weight288.25 g/mol
Exact Mass288.01
IUPAC Name4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(O)cc(C(F)(F)F)c2)cs1
InChIInChI=1S/C12H7F3O3S/c13-12(14,15)8-1-6(2-9(16)4-8)7-3-10(11(17)18)19-5-7/h1-5,16H,(H,17,18)
InChIKeyVMKFYBTVKGMUKH-UHFFFAOYSA-N
XLogP3.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid
CID 53226840
4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 117222383
4-(4-fluorophenyl)thiophene-2-carboxylic acid
CID 46313145
4-(4-bromophenyl)thiophene-2-carboxylic acid
CID 2757170
methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate
CID 53221429
2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 87450920
3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzoic acid
CID 53228337
3-(4-carboxyphenyl)-5-(trifluoromethyl)benzoic acid
CID 53226200
4-(4-nitrophenyl)thiophene-2-carboxylic acid
CID 23063734
5-[3-isocyano-5-(trifluoromethyl)phenyl]benzene-1,3-diol
CID 171771385
2-[4-[2-[(5Z)-5-[1-[4-[3,5-bis(trifluoromethyl)phenyl]thiophen-2-yl]ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]piperazin-1-yl]acetic acid
CID 11411019
4-[3-hydroxy-5-(trifluoromethyl)phenyl]-N,N-dimethylbenzenesulfonamide
CID 53222198

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid (CID 53222060) is 4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid is O=C(O)c1cc(-c2cc(O)cc(C(F)(F)F)c2)cs1.
What is the InChIKey of 4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
The InChIKey is VMKFYBTVKGMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O3S/c13-12(14,15)8-1-6(2-9(16)4-8)7-3-10(11(17)18)19-5-7/h1-5,16H,(H,17,18).
What are the key properties of 4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid?
4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid has a molecular weight of 288.25 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 53222060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).