4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid

C19H11F2NO3S — CID 171735132

IUPAC4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid
SMILESCOc1ccc(-c2sc(C(=O)O)cc2-c2ccc(C#N)c(F)c2)cc1F
InChIInChI=1S/C19H11F2NO3S/c1-25-16-5-4-11(7-15(16)21)18-13(8-17(26-18)19(23)24)10-2-3-12(9-22)14(20)6-10/h2-8H,1H3,(H,23,24)
InChIKeyAWXBYICKDXEIMU-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.94
Rot. Bonds4

About 4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid

4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid (PubChem CID 171735132) has the molecular formula C19H11F2NO3S and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid
PubChem CID171735132
Molecular FormulaC19H11F2NO3S
Molecular Weight371.36 g/mol
Exact Mass371.04
IUPAC Name4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid
SMILESCOc1ccc(-c2sc(C(=O)O)cc2-c2ccc(C#N)c(F)c2)cc1F
InChIInChI=1S/C19H11F2NO3S/c1-25-16-5-4-11(7-15(16)21)18-13(8-17(26-18)19(23)24)10-2-3-12(9-22)14(20)6-10/h2-8H,1H3,(H,23,24)
InChIKeyAWXBYICKDXEIMU-UHFFFAOYSA-N
XLogP4.94
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[2-(3-fluoro-4-methoxyphenyl)-5-(piperidine-1-carbonyl)thiophen-3-yl]benzonitrile
CID 174166067
2-fluoro-4-[2-(3-fluoro-4-methoxyphenyl)-5-(piperazine-1-carbonyl)thiophen-3-yl]benzonitrile
CID 171734921
4-[5-(3-aminoazetidine-1-carbonyl)-2-(3-fluoro-4-methoxyphenyl)thiophen-3-yl]-2-fluorobenzonitrile
CID 174165797
N-(1-azatricyclo[3.2.0.02,7]heptan-4-yl)-4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxamide
CID 174168349
4-[5-[(3S)-3-amino-4,4-difluoropiperidine-1-carbonyl]-2-(3-fluoro-4-methoxyphenyl)thiophen-3-yl]-2-fluorobenzonitrile
CID 174165988
4-[5-(2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl)-2-(3-fluoro-4-methoxyphenyl)thiophen-3-yl]-2-fluorobenzonitrile
CID 171735205
tert-butyl 8-[4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carbonyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 171735144
4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]-2-(3-fluoro-4-methoxyphenyl)thiophen-3-yl]-2-fluorobenzonitrile
CID 174165971
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087
2-(4-cyano-3-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)imidazole-4-carboxylic acid
CID 118626615
2-[3-cyano-4-(3-fluoro-4-methoxyphenyl)phenyl]-4-methyl-1,3-selenazole-5-carboxylic acid
CID 139208043
3-chloro-4-(3-fluoro-4-methoxyphenyl)benzoic acid
CID 81308426

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid (CID 171735132) is 4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid is COc1ccc(-c2sc(C(=O)O)cc2-c2ccc(C#N)c(F)c2)cc1F.
What is the InChIKey of 4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid?
The InChIKey is AWXBYICKDXEIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2NO3S/c1-25-16-5-4-11(7-15(16)21)18-13(8-17(26-18)19(23)24)10-2-3-12(9-22)14(20)6-10/h2-8H,1H3,(H,23,24).
What are the key properties of 4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid?
4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid has a molecular weight of 371.36 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-3-fluorophenyl)-5-(3-fluoro-4-methoxyphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 171735132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).