3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid

C8H8ClFO2S — CID 130820112

IUPAC3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid
SMILESCC(c1csc(Cl)c1)C(F)C(=O)O
InChIInChI=1S/C8H8ClFO2S/c1-4(7(10)8(11)12)5-2-6(9)13-3-5/h2-4,7H,1H3,(H,11,12)
InChIKeyKKAFBOAQNGSZHH-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.93
Rot. Bonds3

About 3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid

3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid (PubChem CID 130820112) has the molecular formula C8H8ClFO2S and a molecular weight of 222.67 g/mol. Its IUPAC name is 3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid.

Molecular Properties

Compound Name3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid
PubChem CID130820112
Molecular FormulaC8H8ClFO2S
Molecular Weight222.67 g/mol
Exact Mass221.99
IUPAC Name3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid
SMILESCC(c1csc(Cl)c1)C(F)C(=O)O
InChIInChI=1S/C8H8ClFO2S/c1-4(7(10)8(11)12)5-2-6(9)13-3-5/h2-4,7H,1H3,(H,11,12)
InChIKeyKKAFBOAQNGSZHH-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-Chlorothiophen-3-yl)acetic acid
CID 16639231
2-(2-Chlorothiophen-3-yl)-2-fluoroacetic acid
CID 131116499
4-(2,5-Dichlorothiophen-3-yl)butanoic acid
CID 23434137
4-(2,5-Dichlorothiophen-3-yl)-4,4-difluorobutanoic acid
CID 43344888
5-(5-Chloro-2-fluorothiophen-3-yl)-2-ethylpentanoic acid
CID 68414732
5-(5-Chloro-2-fluorothiophen-3-yl)heptanoic acid
CID 68414735
2-(5-Chlorothiophen-3-yl)-2,2-difluoroacetic acid
CID 146109769
2-(5-Chlorothiophen-3-yl)-2-fluoroacetic acid
CID 177003260
delta-(2,5-Dichloro-3-thienyl)valeric acid
CID 43167366
(3R)-3-thiophen-3-ylpentanoic acid
CID 96747176
5-(2,5-Dichlorothiophen-3-yl)-5,5-difluoropentanoic acid
CID 43167367
6-(2,5-Dichlorothiophen-3-yl)-6,6-difluorohexanoic acid
CID 43447073

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid?
The IUPAC name of 3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid (CID 130820112) is 3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid.
What is the SMILES notation for 3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid?
The canonical SMILES for 3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid is CC(c1csc(Cl)c1)C(F)C(=O)O.
What is the InChIKey of 3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid?
The InChIKey is KKAFBOAQNGSZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO2S/c1-4(7(10)8(11)12)5-2-6(9)13-3-5/h2-4,7H,1H3,(H,11,12).
What are the key properties of 3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid?
3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid has a molecular weight of 222.67 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-3-yl)-2-fluorobutanoic acid is sourced from PubChem (CID 130820112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).