4-(4-fluorophenyl)thiophene-2-carboxylic acid

C11H7FO2S — CID 46313145

IUPAC4-(4-fluorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C11H7FO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14)
InChIKeyNMVWJNPEKUCHOS-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.25
Rot. Bonds2

About 4-(4-fluorophenyl)thiophene-2-carboxylic acid

4-(4-fluorophenyl)thiophene-2-carboxylic acid (PubChem CID 46313145) has the molecular formula C11H7FO2S and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)thiophene-2-carboxylic acid
PubChem CID46313145
Molecular FormulaC11H7FO2S
Molecular Weight222.24 g/mol
Exact Mass222.02
IUPAC Name4-(4-fluorophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C11H7FO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14)
InChIKeyNMVWJNPEKUCHOS-UHFFFAOYSA-N
XLogP3.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)thiophene-2-carboxylic acid
CID 2757170
4-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 117222383
4-(3-carboxy-5-chlorophenyl)thiophene-2-carboxylic acid
CID 53226840
4-[3-hydroxy-5-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 53222060
[4-(4-methylphenyl)thiophen-2-yl]-phenylmethanone
CID 170851479
4-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)thiophene-2-carboxylic acid
CID 23372750
2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride
CID 87542215
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
(2,3,4,5,6-pentafluorophenyl) 4-(4-methoxyphenyl)thiophene-2-carboxylate
CID 87804707
4-(4-fluorophenyl)-2-methylbenzoic acid
CID 46314576
4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid
CID 103497753
4-[2-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]-2-oxoethyl]thiophene-2-carboxylic acid
CID 166289697

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)thiophene-2-carboxylic acid (CID 46313145) is 4-(4-fluorophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)thiophene-2-carboxylic acid is O=C(O)c1cc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 4-(4-fluorophenyl)thiophene-2-carboxylic acid?
The InChIKey is NMVWJNPEKUCHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14).
What are the key properties of 4-(4-fluorophenyl)thiophene-2-carboxylic acid?
4-(4-fluorophenyl)thiophene-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 46313145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).