3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole

C11H14FN — CID 83914941

IUPAC3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole
SMILESCCC1c2ccc(F)cc2NC1C
InChIInChI=1S/C11H14FN/c1-3-9-7(2)13-11-6-8(12)4-5-10(9)11/h4-7,9,13H,3H2,1-2H3
InChIKeyFMYRTVPCMPMQCF-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.13
Rot. Bonds1

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

3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole (PubChem CID 83914941) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole
PubChem CID83914941
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole
SMILESCCC1c2ccc(F)cc2NC1C
InChIInChI=1S/C11H14FN/c1-3-9-7(2)13-11-6-8(12)4-5-10(9)11/h4-7,9,13H,3H2,1-2H3
InChIKeyFMYRTVPCMPMQCF-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 83915776
(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 95970001
(3S)-5-fluoro-2,3-dimethyl-2,3-dihydro-1H-indole
CID 170593238
6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 83915741
1-(6-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-N-methylmethanamine
CID 84621363
7-fluoro-2,3,4-trimethyl-2,3-dihydro-1H-quinoxaline
CID 84619291
(6-fluoro-3-propan-2-yl-2,3-dihydro-1H-indol-2-yl)methanol
CID 83916718
5-fluoro-2-methyl-2,3-dihydro-1H-indole-3-carbaldehyde
CID 88564101
8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84718205
3-ethyl-5-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 126625151
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291
ethylcyclopropane;1,2,4-trifluorobenzene
CID 157032368

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole (CID 83914941) is 3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole is CCC1c2ccc(F)cc2NC1C.
What is the InChIKey of 3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole?
The InChIKey is FMYRTVPCMPMQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-3-9-7(2)13-11-6-8(12)4-5-10(9)11/h4-7,9,13H,3H2,1-2H3.
What are the key properties of 3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole?
3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole has a molecular weight of 179.24 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoro-2-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 83914941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).