ethane;3-fluoro-5-methylthiophene-2-carboxylic acid

C8H11FO2S — CID 166145791

IUPACethane;3-fluoro-5-methylthiophene-2-carboxylic acid
SMILESCC.Cc1cc(F)c(C(=O)O)s1
InChIInChI=1S/C6H5FO2S.C2H6/c1-3-2-4(7)5(10-3)6(8)9;1-2/h2H,1H3,(H,8,9);1-2H3
InChIKeyBNZFQNJCMUHQAE-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.92
Rot. Bonds1

About ethane;3-fluoro-5-methylthiophene-2-carboxylic acid

ethane;3-fluoro-5-methylthiophene-2-carboxylic acid (PubChem CID 166145791) has the molecular formula C8H11FO2S and a molecular weight of 190.24 g/mol. Its IUPAC name is ethane;3-fluoro-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Nameethane;3-fluoro-5-methylthiophene-2-carboxylic acid
PubChem CID166145791
Molecular FormulaC8H11FO2S
Molecular Weight190.24 g/mol
Exact Mass190.05
IUPAC Nameethane;3-fluoro-5-methylthiophene-2-carboxylic acid
SMILESCC.Cc1cc(F)c(C(=O)O)s1
InChIInChI=1S/C6H5FO2S.C2H6/c1-3-2-4(7)5(10-3)6(8)9;1-2/h2H,1H3,(H,8,9);1-2H3
InChIKeyBNZFQNJCMUHQAE-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-5-methylthiophene-2-carboxylic acid?
The IUPAC name of ethane;3-fluoro-5-methylthiophene-2-carboxylic acid (CID 166145791) is ethane;3-fluoro-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for ethane;3-fluoro-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for ethane;3-fluoro-5-methylthiophene-2-carboxylic acid is CC.Cc1cc(F)c(C(=O)O)s1.
What is the InChIKey of ethane;3-fluoro-5-methylthiophene-2-carboxylic acid?
The InChIKey is BNZFQNJCMUHQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO2S.C2H6/c1-3-2-4(7)5(10-3)6(8)9;1-2/h2H,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;3-fluoro-5-methylthiophene-2-carboxylic acid?
ethane;3-fluoro-5-methylthiophene-2-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 166145791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).