4-fluoro-5-propylthiophene-2-carboxylic acid

C8H9FO2S — CID 22134237

IUPAC4-fluoro-5-propylthiophene-2-carboxylic acid
SMILESCCCc1sc(C(=O)O)cc1F
InChIInChI=1S/C8H9FO2S/c1-2-3-6-5(9)4-7(12-6)8(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyBXMAPQYKTHGDQG-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.54
Rot. Bonds3

About 4-fluoro-5-propylthiophene-2-carboxylic acid

4-fluoro-5-propylthiophene-2-carboxylic acid (PubChem CID 22134237) has the molecular formula C8H9FO2S and a molecular weight of 188.22 g/mol. Its IUPAC name is 4-fluoro-5-propylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-5-propylthiophene-2-carboxylic acid
PubChem CID22134237
Molecular FormulaC8H9FO2S
Molecular Weight188.22 g/mol
Exact Mass188.03
IUPAC Name4-fluoro-5-propylthiophene-2-carboxylic acid
SMILESCCCc1sc(C(=O)O)cc1F
InChIInChI=1S/C8H9FO2S/c1-2-3-6-5(9)4-7(12-6)8(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyBXMAPQYKTHGDQG-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-fluoro-5-propylthiophene-2-carboxylate
CID 22134205
4-bromo-5-propylthiophene-2-carboxylic acid
CID 3843134
4-chloro-5-ethylthiophene-2-carboxylic acid
CID 83877602
4-(2-methylpyrazol-3-yl)-5-propylthiophene-2-carboxylic acid
CID 141216223
methyl 4-phenyl-5-propylthiophene-2-carboxylate
CID 58438998
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
5-[3-[(5S)-5-[(3,5-dichlorophenoxy)methyl]cyclopenten-1-yl]propyl]-4-fluorothiophene-2-carboxylic acid
CID 25001291
4-fluoro-3-propylbenzoic acid
CID 11745258
4-methyl-5-(2-methylpropyl)thiophene-2-carboxylic acid
CID 79989991
5-[(dimethylamino)methyl]-4-methylthiophene-2-carboxylic acid
CID 167589533
6-chloro-4-fluoro-1-benzothiophene-2-carboxylic acid
CID 130866263
4-bromo-5-prop-2-enylthiophene-2-carboxylic acid
CID 10562414

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propylthiophene-2-carboxylic acid?
The IUPAC name of 4-fluoro-5-propylthiophene-2-carboxylic acid (CID 22134237) is 4-fluoro-5-propylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-5-propylthiophene-2-carboxylic acid?
The canonical SMILES for 4-fluoro-5-propylthiophene-2-carboxylic acid is CCCc1sc(C(=O)O)cc1F.
What is the InChIKey of 4-fluoro-5-propylthiophene-2-carboxylic acid?
The InChIKey is BXMAPQYKTHGDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO2S/c1-2-3-6-5(9)4-7(12-6)8(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-fluoro-5-propylthiophene-2-carboxylic acid?
4-fluoro-5-propylthiophene-2-carboxylic acid has a molecular weight of 188.22 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propylthiophene-2-carboxylic acid is sourced from PubChem (CID 22134237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).