4-chloro-2-fluorothiophene-3-carboxylic acid

C5H2ClFO2S — CID 126750072

IUPAC4-chloro-2-fluorothiophene-3-carboxylic acid
SMILESO=C(O)c1c(Cl)csc1F
InChIInChI=1S/C5H2ClFO2S/c6-2-1-10-4(7)3(2)5(8)9/h1H,(H,8,9)
InChIKeyJNNFEDGHQZIXSV-UHFFFAOYSA-N
MW180.59 g/mol
LogP2.24
Rot. Bonds1

About 4-chloro-2-fluorothiophene-3-carboxylic acid

4-chloro-2-fluorothiophene-3-carboxylic acid (PubChem CID 126750072) has the molecular formula C5H2ClFO2S and a molecular weight of 180.59 g/mol. Its IUPAC name is 4-chloro-2-fluorothiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-fluorothiophene-3-carboxylic acid
PubChem CID126750072
Molecular FormulaC5H2ClFO2S
Molecular Weight180.59 g/mol
Exact Mass179.94
IUPAC Name4-chloro-2-fluorothiophene-3-carboxylic acid
SMILESO=C(O)c1c(Cl)csc1F
InChIInChI=1S/C5H2ClFO2S/c6-2-1-10-4(7)3(2)5(8)9/h1H,(H,8,9)
InChIKeyJNNFEDGHQZIXSV-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluorothiophene-3-carboxylic acid?
The IUPAC name of 4-chloro-2-fluorothiophene-3-carboxylic acid (CID 126750072) is 4-chloro-2-fluorothiophene-3-carboxylic acid.
What is the SMILES notation for 4-chloro-2-fluorothiophene-3-carboxylic acid?
The canonical SMILES for 4-chloro-2-fluorothiophene-3-carboxylic acid is O=C(O)c1c(Cl)csc1F.
What is the InChIKey of 4-chloro-2-fluorothiophene-3-carboxylic acid?
The InChIKey is JNNFEDGHQZIXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClFO2S/c6-2-1-10-4(7)3(2)5(8)9/h1H,(H,8,9).
What are the key properties of 4-chloro-2-fluorothiophene-3-carboxylic acid?
4-chloro-2-fluorothiophene-3-carboxylic acid has a molecular weight of 180.59 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluorothiophene-3-carboxylic acid is sourced from PubChem (CID 126750072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).