2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole

C11H14FN — CID 84718195

IUPAC2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole
SMILESCCC1(C)Cc2cccc(F)c2N1
InChIInChI=1S/C11H14FN/c1-3-11(2)7-8-5-4-6-9(12)10(8)13-11/h4-6,13H,3,7H2,1-2H3
InChIKeySGZXOUJAMXIMAW-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.96
Rot. Bonds1

About 2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole

2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole (PubChem CID 84718195) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole.

Molecular Properties

Compound Name2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole
PubChem CID84718195
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole
SMILESCCC1(C)Cc2cccc(F)c2N1
InChIInChI=1S/C11H14FN/c1-3-11(2)7-8-5-4-6-9(12)10(8)13-11/h4-6,13H,3,7H2,1-2H3
InChIKeySGZXOUJAMXIMAW-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-8-fluoro-2-methyl-3,4-dihydro-1H-quinoline
CID 84720107
(8-fluoro-2-methyl-3,4-dihydro-1H-quinolin-2-yl)methanol
CID 117193715
2-ethyl-4-fluoro-2-methyl-1,3-dihydroindole
CID 84718198
8-fluoro-2-(methoxymethyl)-2-methyl-3,4-dihydro-1H-quinoline
CID 117193718
8-fluoro-3,3-dimethyl-1,4-dihydroquinolin-2-one
CID 102357907
2-ethyl-2,6-dimethyl-1,3-dihydroindole
CID 13401896
3-ethyl-1-(3-fluoro-2-methylphenyl)-3-methyl-1,4-diazepane
CID 64945422
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
2-ethyl-2,4-dimethyl-3,4-dihydro-1H-quinolin-8-ol
CID 117193943
4-fluoro-2,2-dimethyl-1,3-dihydroindole
CID 84717067
2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride
CID 73449358
6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 130526508

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole?
The IUPAC name of 2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole (CID 84718195) is 2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole.
What is the SMILES notation for 2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole?
The canonical SMILES for 2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole is CCC1(C)Cc2cccc(F)c2N1.
What is the InChIKey of 2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole?
The InChIKey is SGZXOUJAMXIMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-3-11(2)7-8-5-4-6-9(12)10(8)13-11/h4-6,13H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole?
2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole has a molecular weight of 179.24 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole is sourced from PubChem (CID 84718195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).