4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid

C6H2ClF3O2S — CID 146309471

IUPAC4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c(C(F)(F)F)s1
InChIInChI=1S/C6H2ClF3O2S/c7-2-1-3(5(11)12)13-4(2)6(8,9)10/h1H,(H,11,12)
InChIKeyAYJCDSFOEZDCJJ-UHFFFAOYSA-N
MW230.59 g/mol
LogP3.12
Rot. Bonds1

About 4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid

4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid (PubChem CID 146309471) has the molecular formula C6H2ClF3O2S and a molecular weight of 230.59 g/mol. Its IUPAC name is 4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid
PubChem CID146309471
Molecular FormulaC6H2ClF3O2S
Molecular Weight230.59 g/mol
Exact Mass229.94
IUPAC Name4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c(C(F)(F)F)s1
InChIInChI=1S/C6H2ClF3O2S/c7-2-1-3(5(11)12)13-4(2)6(8,9)10/h1H,(H,11,12)
InChIKeyAYJCDSFOEZDCJJ-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.59
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Chloro-2-thiophenecarboxylic acid
CID 95048
4,5-Dichlorothiophene-2-carboxylic acid
CID 305687
5-Chloro-4-methylthiophene-2-carboxylic acid
CID 12605957
5-(Difluoromethyl)thiophene-2-carboxylic acid
CID 18938081
3-Chlorothiophene-2-carboxylic acid
CID 701269
5-(Trifluoromethyl)thiophene-2-carboxylic acid
CID 2049051
4-Bromo-5-chlorothiophene-2-carboxylic acid
CID 14882403
3-Chloro-5-iodothiophene-2-carboxylic acid
CID 135275819
4-Chlorothiophene-2-carboxylic acid
CID 12290695
5-Bromo-4-chlorothiophene-2-carboxylic acid
CID 16639170
3-Chloro-5-methylthiophene-2-carboxylic acid
CID 16640001
5-Chloro-3-sulfinothiophene-2-carboxylic acid
CID 17888047

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid (CID 146309471) is 4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid is O=C(O)c1cc(Cl)c(C(F)(F)F)s1.
What is the InChIKey of 4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid?
The InChIKey is AYJCDSFOEZDCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3O2S/c7-2-1-3(5(11)12)13-4(2)6(8,9)10/h1H,(H,11,12).
What are the key properties of 4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid?
4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid has a molecular weight of 230.59 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(trifluoromethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 146309471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).