5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid

C12H6ClF3O3 — CID 172500693

IUPAC5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid
SMILESO=C(O)c1oc(-c2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C12H6ClF3O3/c13-7-3-1-6(2-4-7)9-5-8(12(14,15)16)10(19-9)11(17)18/h1-5H,(H,17,18)
InChIKeyBPAALTNALOCFSU-UHFFFAOYSA-N
MW290.62 g/mol
LogP4.32
Rot. Bonds2

About 5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid

5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid (PubChem CID 172500693) has the molecular formula C12H6ClF3O3 and a molecular weight of 290.62 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid
PubChem CID172500693
Molecular FormulaC12H6ClF3O3
Molecular Weight290.62 g/mol
Exact Mass290.00
IUPAC Name5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid
SMILESO=C(O)c1oc(-c2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C12H6ClF3O3/c13-7-3-1-6(2-4-7)9-5-8(12(14,15)16)10(19-9)11(17)18/h1-5H,(H,17,18)
InChIKeyBPAALTNALOCFSU-UHFFFAOYSA-N
XLogP4.32
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.62
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bromomethyl)-5-(4-chlorophenyl)furan-2-carboxylic acid
CID 58387745
6-(4-chlorophenyl)-4-oxopyran-2-carboxylic acid
CID 12846712
6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 121205087
4-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228331
2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
CID 174624986
4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333223
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid
CID 2778104
6-chloro-2-(4-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 633518
4-(3-chloro-5-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333287
ethyl 5-(4-chlorophenyl)-3-phenylfuran-2-carboxylate
CID 24751968
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate
CID 6067297

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid (CID 172500693) is 5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid is O=C(O)c1oc(-c2ccc(Cl)cc2)cc1C(F)(F)F.
What is the InChIKey of 5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid?
The InChIKey is BPAALTNALOCFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3O3/c13-7-3-1-6(2-4-7)9-5-8(12(14,15)16)10(19-9)11(17)18/h1-5H,(H,17,18).
What are the key properties of 5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid?
5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid has a molecular weight of 290.62 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-carboxylic acid is sourced from PubChem (CID 172500693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).