3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid

C15H10F3NO2 — CID 103496505

IUPAC3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
SMILESO=C(O)c1cc(F)c(N2CCc3ccc(F)cc32)c(F)c1
InChIInChI=1S/C15H10F3NO2/c16-10-2-1-8-3-4-19(13(8)7-10)14-11(17)5-9(15(20)21)6-12(14)18/h1-2,5-7H,3-4H2,(H,20,21)
InChIKeyCRMFOZCWZMQRKH-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.50
Rot. Bonds2

About 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid

3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid (PubChem CID 103496505) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
PubChem CID103496505
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
SMILESO=C(O)c1cc(F)c(N2CCc3ccc(F)cc32)c(F)c1
InChIInChI=1S/C15H10F3NO2/c16-10-2-1-8-3-4-19(13(8)7-10)14-11(17)5-9(15(20)21)6-12(14)18/h1-2,5-7H,3-4H2,(H,20,21)
InChIKeyCRMFOZCWZMQRKH-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzaldehyde
CID 103497651
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
4-(3,4-dihydro-2H-quinolin-1-yl)-3,5-difluorobenzoic acid
CID 63537981
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
CID 103496467
2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103503554
4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103497755
4-(6-fluoro-2,3-dihydroindol-1-yl)thiophene-2-carboxylic acid
CID 103497753
4-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carboxylic acid
CID 103496498
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
CID 103496508
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 107282369
methyl 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoate
CID 103501354

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
The IUPAC name of 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid (CID 103496505) is 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid.
What is the SMILES notation for 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
The canonical SMILES for 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid is O=C(O)c1cc(F)c(N2CCc3ccc(F)cc32)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
The InChIKey is CRMFOZCWZMQRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-10-2-1-8-3-4-19(13(8)7-10)14-11(17)5-9(15(20)21)6-12(14)18/h1-2,5-7H,3-4H2,(H,20,21).
What are the key properties of 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid has a molecular weight of 293.24 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid is sourced from PubChem (CID 103496505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).