6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid

C10H10FNO2 — CID 83915741

IUPAC6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCC1c2ccc(F)cc2NC1C(=O)O
InChIInChI=1S/C10H10FNO2/c1-5-7-3-2-6(11)4-8(7)12-9(5)10(13)14/h2-5,9,12H,1H3,(H,13,14)
InChIKeyXSHJMMXLRJCVLT-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.81
Rot. Bonds1

About 6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid

6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 83915741) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID83915741
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCC1c2ccc(F)cc2NC1C(=O)O
InChIInChI=1S/C10H10FNO2/c1-5-7-3-2-6(11)4-8(7)12-9(5)10(13)14/h2-5,9,12H,1H3,(H,13,14)
InChIKeyXSHJMMXLRJCVLT-UHFFFAOYSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 83914941
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
4-methoxy-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 112716859
(2S)-3-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 118295399
3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359926
(2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124583906
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291
3-(2,5-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 79337990
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
(3S,4S)-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxylic acid
CID 135353805
(3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 170593238
(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366137

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid (CID 83915741) is 6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid is CC1c2ccc(F)cc2NC1C(=O)O.
What is the InChIKey of 6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is XSHJMMXLRJCVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-5-7-3-2-6(11)4-8(7)12-9(5)10(13)14/h2-5,9,12H,1H3,(H,13,14).
What are the key properties of 6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 83915741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).