2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid

C12H9FO2S — CID 84756415

IUPAC2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C12H9FO2S/c13-9-3-1-8(2-4-9)11-6-5-10(16-11)7-12(14)15/h1-6H,7H2,(H,14,15)
InChIKeyNPAIIYDYBDUEPS-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.18
Rot. Bonds3

About 2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid

2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid (PubChem CID 84756415) has the molecular formula C12H9FO2S and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid
PubChem CID84756415
Molecular FormulaC12H9FO2S
Molecular Weight236.27 g/mol
Exact Mass236.03
IUPAC Name2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C12H9FO2S/c13-9-3-1-8(2-4-9)11-6-5-10(16-11)7-12(14)15/h1-6H,7H2,(H,14,15)
InChIKeyNPAIIYDYBDUEPS-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[5-(4-fluorophenyl)thiophen-2-yl]methoxy]acetic acid
CID 53397678
2-[5-[5-[5-(carboxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]acetic acid
CID 67286373
2-[5-(3-chlorophenyl)thiophen-2-yl]acetic acid;ethane
CID 142536310
3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 122047013
(2S)-2-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]-3-methylbutanoic acid
CID 120510670
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43214098
2-[2-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)thiophen-3-yl]acetic acid
CID 142689227
2-[(2,6-dimethylphenyl)methyl]-5-(4-fluorophenyl)thiophene
CID 122535416
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylpropan-1-one
CID 24946900
3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 175825964
2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]acetic acid
CID 22326476

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid (CID 84756415) is 2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid?
The InChIKey is NPAIIYDYBDUEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2S/c13-9-3-1-8(2-4-9)11-6-5-10(16-11)7-12(14)15/h1-6H,7H2,(H,14,15).
What are the key properties of 2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid?
2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 84756415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).