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

C15H11F2NO2 — CID 103503554

IUPAC2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCc3ccc(F)cc32)cc1F
InChIInChI=1S/C15H11F2NO2/c16-10-2-1-9-5-6-18(14(9)7-10)11-3-4-12(15(19)20)13(17)8-11/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyBKMFREATEPTWOX-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.36
Rot. Bonds2

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

2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid (PubChem CID 103503554) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
PubChem CID103503554
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCc3ccc(F)cc32)cc1F
InChIInChI=1S/C15H11F2NO2/c16-10-2-1-9-5-6-18(14(9)7-10)11-3-4-12(15(19)20)13(17)8-11/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyBKMFREATEPTWOX-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 107282369
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
CID 103496508
4-bromo-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103497755
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103496505
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
2-fluoro-4-(1-oxo-3,4-dihydroisoquinolin-2-yl)benzoic acid
CID 107796635
(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498434
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
CID 103493897
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
CID 103496467
2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol
CID 103496794

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
The IUPAC name of 2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid (CID 103503554) is 2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid is O=C(O)c1ccc(N2CCc3ccc(F)cc32)cc1F.
What is the InChIKey of 2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
The InChIKey is BKMFREATEPTWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-10-2-1-9-5-6-18(14(9)7-10)11-3-4-12(15(19)20)13(17)8-11/h1-4,7-8H,5-6H2,(H,19,20).
What are the key properties of 2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid?
2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid has a molecular weight of 275.25 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid is sourced from PubChem (CID 103503554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).