ethane;3-fluorothiophene-2-carboxylic acid

C7H9FO2S — CID 142472741

IUPACethane;3-fluorothiophene-2-carboxylic acid
SMILESCC.O=C(O)c1sccc1F
InChIInChI=1S/C5H3FO2S.C2H6/c6-3-1-2-9-4(3)5(7)8;1-2/h1-2H,(H,7,8);1-2H3
InChIKeyQGTRRTZGUZXEMU-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.61
Rot. Bonds1

About ethane;3-fluorothiophene-2-carboxylic acid

ethane;3-fluorothiophene-2-carboxylic acid (PubChem CID 142472741) has the molecular formula C7H9FO2S and a molecular weight of 176.21 g/mol. Its IUPAC name is ethane;3-fluorothiophene-2-carboxylic acid.

Molecular Properties

Compound Nameethane;3-fluorothiophene-2-carboxylic acid
PubChem CID142472741
Molecular FormulaC7H9FO2S
Molecular Weight176.21 g/mol
Exact Mass176.03
IUPAC Nameethane;3-fluorothiophene-2-carboxylic acid
SMILESCC.O=C(O)c1sccc1F
InChIInChI=1S/C5H3FO2S.C2H6/c6-3-1-2-9-4(3)5(7)8;1-2/h1-2H,(H,7,8);1-2H3
InChIKeyQGTRRTZGUZXEMU-UHFFFAOYSA-N
XLogP2.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one
CID 130642481
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
1-(3-fluorothiophen-2-yl)butane-1,3-dione
CID 174590149
3-boronothiophene-2-carboxylic acid
CID 45074560
3-acetylthiophene-2-carboxylic acid
CID 818927
3-(2,4-difluorophenyl)thiophene-2-carboxylic acid
CID 63797013
3-(hydroxyamino)thiophene-2-carboxylic acid
CID 87561622
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide
CID 130594260
N-but-2-ynyl-3-fluorothiophene-2-carboxamide
CID 131047851
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
3-(methylcarbamoyl)thiophene-2-carboxylic acid
CID 129267233

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluorothiophene-2-carboxylic acid?
The IUPAC name of ethane;3-fluorothiophene-2-carboxylic acid (CID 142472741) is ethane;3-fluorothiophene-2-carboxylic acid.
What is the SMILES notation for ethane;3-fluorothiophene-2-carboxylic acid?
The canonical SMILES for ethane;3-fluorothiophene-2-carboxylic acid is CC.O=C(O)c1sccc1F.
What is the InChIKey of ethane;3-fluorothiophene-2-carboxylic acid?
The InChIKey is QGTRRTZGUZXEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FO2S.C2H6/c6-3-1-2-9-4(3)5(7)8;1-2/h1-2H,(H,7,8);1-2H3.
What are the key properties of ethane;3-fluorothiophene-2-carboxylic acid?
ethane;3-fluorothiophene-2-carboxylic acid has a molecular weight of 176.21 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluorothiophene-2-carboxylic acid is sourced from PubChem (CID 142472741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).