5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid

C14H9F2NO3S — CID 154800655

IUPAC5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCc3cc(F)c(F)cc32)s1
InChIInChI=1S/C14H9F2NO3S/c15-8-5-7-3-4-17(10(7)6-9(8)16)13(18)11-1-2-12(21-11)14(19)20/h1-2,5-6H,3-4H2,(H,19,20)
InChIKeyFBJVYYSPWRKPDX-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.93
Rot. Bonds2

About 5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid

5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid (PubChem CID 154800655) has the molecular formula C14H9F2NO3S and a molecular weight of 309.29 g/mol. Its IUPAC name is 5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid
PubChem CID154800655
Molecular FormulaC14H9F2NO3S
Molecular Weight309.29 g/mol
Exact Mass309.03
IUPAC Name5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCc3cc(F)c(F)cc32)s1
InChIInChI=1S/C14H9F2NO3S/c15-8-5-7-3-4-17(10(7)6-9(8)16)13(18)11-1-2-12(21-11)14(19)20/h1-2,5-6H,3-4H2,(H,19,20)
InChIKeyFBJVYYSPWRKPDX-UHFFFAOYSA-N
XLogP2.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid (CID 154800655) is 5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCc3cc(F)c(F)cc32)s1.
What is the InChIKey of 5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is FBJVYYSPWRKPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO3S/c15-8-5-7-3-4-17(10(7)6-9(8)16)13(18)11-1-2-12(21-11)14(19)20/h1-2,5-6H,3-4H2,(H,19,20).
What are the key properties of 5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid?
5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 309.29 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 154800655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).