4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid

C9H7F2NO2 — CID 117110528

IUPAC4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid
SMILESO=C(O)c1cc(F)c(F)c2c1NCC2
InChIInChI=1S/C9H7F2NO2/c10-6-3-5(9(13)14)8-4(7(6)11)1-2-12-8/h3,12H,1-2H2,(H,13,14)
InChIKeyWSHWNHJBSZDKLG-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.63
Rot. Bonds1

About 4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid

4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid (PubChem CID 117110528) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is 4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid
PubChem CID117110528
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid
SMILESO=C(O)c1cc(F)c(F)c2c1NCC2
InChIInChI=1S/C9H7F2NO2/c10-6-3-5(9(13)14)8-4(7(6)11)1-2-12-8/h3,12H,1-2H2,(H,13,14)
InChIKeyWSHWNHJBSZDKLG-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
6-fluoro-2,3-dihydro-1H-indole-5-carboxylic acid
CID 130704446
4-fluoro-6-hydroxy-2,3-dihydro-1H-indole-5-carboxylic acid
CID 117110506
1,2,3,4-tetrahydroquinoline-5,8-dicarboxylic acid
CID 58753408
6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid
CID 117110530
3-bromo-2,4,5-trifluorobenzoic acid
CID 2783246
2,4,5-trifluoro-3-methylbenzoic acid
CID 11805514
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
4,5-difluoro-2-iodobenzoic acid
CID 14997472
3,4,5-trifluoro-2-prop-1-ynylbenzoic acid
CID 57454517
3-amino-4,5-difluoro-2-hydroxybenzoic acid
CID 83817838
2,3-difluoro-5-hydroxybenzoic acid
CID 26596765

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid?
The IUPAC name of 4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid (CID 117110528) is 4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid.
What is the SMILES notation for 4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid?
The canonical SMILES for 4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid is O=C(O)c1cc(F)c(F)c2c1NCC2.
What is the InChIKey of 4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid?
The InChIKey is WSHWNHJBSZDKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-6-3-5(9(13)14)8-4(7(6)11)1-2-12-8/h3,12H,1-2H2,(H,13,14).
What are the key properties of 4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid?
4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid has a molecular weight of 199.16 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2,3-dihydro-1H-indole-7-carboxylic acid is sourced from PubChem (CID 117110528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).