3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole

C11H13F2N — CID 106701849

IUPAC3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole
SMILESCCC1(C)CNc2c(F)cc(F)cc21
InChIInChI=1S/C11H13F2N/c1-3-11(2)6-14-10-8(11)4-7(12)5-9(10)13/h4-5,14H,3,6H2,1-2H3
InChIKeyLLAKKDAXXXTTLW-UHFFFAOYSA-N
MW197.23 g/mol
LogP3.06
Rot. Bonds1

About 3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole

3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole (PubChem CID 106701849) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole.

Molecular Properties

Compound Name3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole
PubChem CID106701849
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole
SMILESCCC1(C)CNc2c(F)cc(F)cc21
InChIInChI=1S/C11H13F2N/c1-3-11(2)6-14-10-8(11)4-7(12)5-9(10)13/h4-5,14H,3,6H2,1-2H3
InChIKeyLLAKKDAXXXTTLW-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-diethyl-6,8-difluoro-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115510199
5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane]
CID 106701866
7-bromo-3,3-diethyl-5-fluoro-1,2-dihydroindole
CID 106701962
5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]
CID 106701657
6,8-difluoro-3,3,4-trimethyl-1,2-dihydroquinoxaline
CID 84621650
(3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine
CID 125451382
7-bromo-3-ethyl-5-fluoro-3-methyl-1H-indol-2-one
CID 106702167
(3R)-3-ethyl-3-methyl-1,2-dihydroindol-5-amine
CID 125453278
3,5-diethyl-3-methyl-1,2-dihydroindole
CID 165441920
7-bromo-5-fluoro-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701792
4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one
CID 115510079
3-ethyl-5,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 84621637

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole?
The IUPAC name of 3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole (CID 106701849) is 3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole.
What is the SMILES notation for 3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole?
The canonical SMILES for 3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole is CCC1(C)CNc2c(F)cc(F)cc21.
What is the InChIKey of 3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole?
The InChIKey is LLAKKDAXXXTTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-3-11(2)6-14-10-8(11)4-7(12)5-9(10)13/h4-5,14H,3,6H2,1-2H3.
What are the key properties of 3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole?
3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole has a molecular weight of 197.23 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole is sourced from PubChem (CID 106701849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).