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

C17H10ClFO3 — CID 58064799

IUPAC4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H10ClFO3/c18-12-3-1-2-11(8-12)14-9-15(17(20)21)22-16(14)10-4-6-13(19)7-5-10/h1-9H,(H,20,21)
InChIKeyNNRBLTFUDKHQDI-UHFFFAOYSA-N
MW316.72 g/mol
LogP5.10
Rot. Bonds3

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

4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid (PubChem CID 58064799) has the molecular formula C17H10ClFO3 and a molecular weight of 316.72 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid
PubChem CID58064799
Molecular FormulaC17H10ClFO3
Molecular Weight316.72 g/mol
Exact Mass316.03
IUPAC Name4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H10ClFO3/c18-12-3-1-2-11(8-12)14-9-15(17(20)21)22-16(14)10-4-6-13(19)7-5-10/h1-9H,(H,20,21)
InChIKeyNNRBLTFUDKHQDI-UHFFFAOYSA-N
XLogP5.10
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.72
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-yl] ethyl carbonate
CID 67426220
2-(3-chlorophenyl)-5-fluorobenzoic acid
CID 53211695
4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
CID 58064791
4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one
CID 46832587
4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
CID 46832879
5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773378
[2-(3-chlorophenyl)-4-fluorophenyl]boronic acid
CID 142746924
(4,5-diphenylfuran-2-yl)-phenylmethanone
CID 134830514
6-(4-chlorophenyl)-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 15578402
4-(3-chlorophenyl)-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105499670
4-(3-chlorophenyl)-3-hydroxybenzoic acid
CID 53225819
3-(3-chlorophenyl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43158163

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid?
The IUPAC name of 4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid (CID 58064799) is 4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid?
The canonical SMILES for 4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid is O=C(O)c1cc(-c2cccc(Cl)c2)c(-c2ccc(F)cc2)o1.
What is the InChIKey of 4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid?
The InChIKey is NNRBLTFUDKHQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFO3/c18-12-3-1-2-11(8-12)14-9-15(17(20)21)22-16(14)10-4-6-13(19)7-5-10/h1-9H,(H,20,21).
What are the key properties of 4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid?
4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid has a molecular weight of 316.72 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 58064799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).