5-ethenyl-1-ethyl-6-fluoroindole

C12H12FN — CID 123821106

IUPAC5-ethenyl-1-ethyl-6-fluoroindole
SMILESC=Cc1cc2ccn(CC)c2cc1F
InChIInChI=1S/C12H12FN/c1-3-9-7-10-5-6-14(4-2)12(10)8-11(9)13/h3,5-8H,1,4H2,2H3
InChIKeyBOXHWOOOGQPLHG-UHFFFAOYSA-N
MW189.23 g/mol
LogP3.44
Rot. Bonds2

About 5-ethenyl-1-ethyl-6-fluoroindole

5-ethenyl-1-ethyl-6-fluoroindole (PubChem CID 123821106) has the molecular formula C12H12FN and a molecular weight of 189.23 g/mol. Its IUPAC name is 5-ethenyl-1-ethyl-6-fluoroindole.

Molecular Properties

Compound Name5-ethenyl-1-ethyl-6-fluoroindole
PubChem CID123821106
Molecular FormulaC12H12FN
Molecular Weight189.23 g/mol
Exact Mass189.10
IUPAC Name5-ethenyl-1-ethyl-6-fluoroindole
SMILESC=Cc1cc2ccn(CC)c2cc1F
InChIInChI=1S/C12H12FN/c1-3-9-7-10-5-6-14(4-2)12(10)8-11(9)13/h3,5-8H,1,4H2,2H3
InChIKeyBOXHWOOOGQPLHG-UHFFFAOYSA-N
XLogP3.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-6,7-difluoroquinoline-4-thione
CID 22918262
6-ethenoxy-1-ethylindole
CID 141210535
5-ethenyl-1-ethyl-6-fluorobenzotriazole
CID 152936015
1-[(2R)-2-azidopropyl]-5,6-difluoroindole
CID 10657439
2-(1-ethylindol-5-yl)acetaldehyde
CID 115106765
2-ethenyl-3-fluoro-6-methylnaphthalene
CID 58718953
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620
(1-ethylindol-5-yl) hypoiodite
CID 23151406
1-ethylindole;propane
CID 91144409
4-ethenyl-1-ethylpyridin-2-one
CID 167135531
5-chloro-1-ethylindole;ethyl formate
CID 174344649
1-[(2S)-2-azidopropyl]-5-fluoro-6-propan-2-ylindole
CID 54453742

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-ethyl-6-fluoroindole?
The IUPAC name of 5-ethenyl-1-ethyl-6-fluoroindole (CID 123821106) is 5-ethenyl-1-ethyl-6-fluoroindole.
What is the SMILES notation for 5-ethenyl-1-ethyl-6-fluoroindole?
The canonical SMILES for 5-ethenyl-1-ethyl-6-fluoroindole is C=Cc1cc2ccn(CC)c2cc1F.
What is the InChIKey of 5-ethenyl-1-ethyl-6-fluoroindole?
The InChIKey is BOXHWOOOGQPLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN/c1-3-9-7-10-5-6-14(4-2)12(10)8-11(9)13/h3,5-8H,1,4H2,2H3.
What are the key properties of 5-ethenyl-1-ethyl-6-fluoroindole?
5-ethenyl-1-ethyl-6-fluoroindole has a molecular weight of 189.23 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-ethyl-6-fluoroindole is sourced from PubChem (CID 123821106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).