5,7-difluoro-3-methyl-2,3-dihydro-1H-indole

C9H9F2N — CID 106986066

IUPAC5,7-difluoro-3-methyl-2,3-dihydro-1H-indole
SMILESCC1CNc2c(F)cc(F)cc21
InChIInChI=1S/C9H9F2N/c1-5-4-12-9-7(5)2-6(10)3-8(9)11/h2-3,5,12H,4H2,1H3
InChIKeyZKIVQLOTRODZHT-UHFFFAOYSA-N
MW169.17 g/mol
LogP2.49
Rot. Bonds

About 5,7-difluoro-3-methyl-2,3-dihydro-1H-indole

5,7-difluoro-3-methyl-2,3-dihydro-1H-indole (PubChem CID 106986066) has the molecular formula C9H9F2N and a molecular weight of 169.17 g/mol. Its IUPAC name is 5,7-difluoro-3-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5,7-difluoro-3-methyl-2,3-dihydro-1H-indole
PubChem CID106986066
Molecular FormulaC9H9F2N
Molecular Weight169.17 g/mol
Exact Mass169.07
IUPAC Name5,7-difluoro-3-methyl-2,3-dihydro-1H-indole
SMILESCC1CNc2c(F)cc(F)cc21
InChIInChI=1S/C9H9F2N/c1-5-4-12-9-7(5)2-6(10)3-8(9)11/h2-3,5,12H,4H2,1H3
InChIKeyZKIVQLOTRODZHT-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole
CID 106986418
5,7-difluoro-3-hexyl-2,3-dihydro-1H-indole
CID 106985694
3-decyl-5,7-difluoro-2,3-dihydro-1H-indole
CID 106986208
(5S)-7,9-difluoro-5-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 130317442
3-(cyclobutylmethyl)-5,7-difluoro-2,3-dihydro-1H-indole
CID 106986352
(3S,5S)-3-amino-7,9-difluoro-5-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 130317511
1-bromo-4,6-difluoro-3-methyl-2,3-dihydro-1H-indene
CID 63822107
6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 175870832
4,6-difluoro-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726126
6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one
CID 146174126
6,8-difluoro-2,3,4-trimethyl-2,3-dihydro-1H-quinoxaline
CID 84621651
5,7-difluoro-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3(8),4,6-triene
CID 115510185

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 5,7-difluoro-3-methyl-2,3-dihydro-1H-indole (CID 106986066) is 5,7-difluoro-3-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5,7-difluoro-3-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5,7-difluoro-3-methyl-2,3-dihydro-1H-indole is CC1CNc2c(F)cc(F)cc21.
What is the InChIKey of 5,7-difluoro-3-methyl-2,3-dihydro-1H-indole?
The InChIKey is ZKIVQLOTRODZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N/c1-5-4-12-9-7(5)2-6(10)3-8(9)11/h2-3,5,12H,4H2,1H3.
What are the key properties of 5,7-difluoro-3-methyl-2,3-dihydro-1H-indole?
5,7-difluoro-3-methyl-2,3-dihydro-1H-indole has a molecular weight of 169.17 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).