4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid

C13H10FNO2S — CID 103497753

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCc3ccc(F)cc32)cs1
InChIInChI=1S/C13H10FNO2S/c14-9-2-1-8-3-4-15(11(8)5-9)10-6-12(13(16)17)18-7-10/h1-2,5-7H,3-4H2,(H,16,17)
InChIKeyLNXDIGZRUREPNS-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.28
Rot. Bonds2

About 4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid

4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid (PubChem CID 103497753) has the molecular formula C13H10FNO2S and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid
PubChem CID103497753
Molecular FormulaC13H10FNO2S
Molecular Weight263.29 g/mol
Exact Mass263.04
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(N2CCc3ccc(F)cc32)cs1
InChIInChI=1S/C13H10FNO2S/c14-9-2-1-8-3-4-15(11(8)5-9)10-6-12(13(16)17)18-7-10/h1-2,5-7H,3-4H2,(H,16,17)
InChIKeyLNXDIGZRUREPNS-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid (CID 103497753) is 4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid is O=C(O)c1cc(N2CCc3ccc(F)cc32)cs1.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid?
The InChIKey is LNXDIGZRUREPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2S/c14-9-2-1-8-3-4-15(11(8)5-9)10-6-12(13(16)17)18-7-10/h1-2,5-7H,3-4H2,(H,16,17).
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid?
4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 103497753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).