5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole

C12H12ClF2NO — CID 161495198

IUPAC5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole
SMILESCCn1ccc2cc(Cl)c(OCC(F)F)cc21
InChIInChI=1S/C12H12ClF2NO/c1-2-16-4-3-8-5-9(13)11(6-10(8)16)17-7-12(14)15/h3-6,12H,2,7H2,1H3
InChIKeyWGCJPWXGKOPBDR-UHFFFAOYSA-N
MW259.68 g/mol
LogP3.96
Rot. Bonds4

About 5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole

5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole (PubChem CID 161495198) has the molecular formula C12H12ClF2NO and a molecular weight of 259.68 g/mol. Its IUPAC name is 5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole.

Molecular Properties

Compound Name5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole
PubChem CID161495198
Molecular FormulaC12H12ClF2NO
Molecular Weight259.68 g/mol
Exact Mass259.06
IUPAC Name5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole
SMILESCCn1ccc2cc(Cl)c(OCC(F)F)cc21
InChIInChI=1S/C12H12ClF2NO/c1-2-16-4-3-8-5-9(13)11(6-10(8)16)17-7-12(14)15/h3-6,12H,2,7H2,1H3
InChIKeyWGCJPWXGKOPBDR-UHFFFAOYSA-N
XLogP3.96
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-1-(2,2-difluoroethoxy)benzene
CID 57262164
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
CID 130501614
(1-ethylindol-5-yl) hypoiodite
CID 23151406
3-(5,6-diethoxyindol-1-yl)propan-1-amine
CID 83948448
6-chloro-7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine
CID 163428064
3-(5,6-diethoxyindol-1-yl)propan-1-ol
CID 83944745
3-(6-chloro-5-methoxyindol-1-yl)propanoic acid
CID 82499558
5-ethenyl-1-ethyl-6-fluoroindole
CID 123821106
1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 114321969
CID 69068244
CID 69068244
[(2S)-1-(5-chloro-6-fluoroindol-1-yl)propan-2-yl] methanesulfonate
CID 10686051
4-chloro-5-(2,2-difluoroethoxy)-2-nitroaniline
CID 147350893

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole?
The IUPAC name of 5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole (CID 161495198) is 5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole.
What is the SMILES notation for 5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole?
The canonical SMILES for 5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole is CCn1ccc2cc(Cl)c(OCC(F)F)cc21.
What is the InChIKey of 5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole?
The InChIKey is WGCJPWXGKOPBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO/c1-2-16-4-3-8-5-9(13)11(6-10(8)16)17-7-12(14)15/h3-6,12H,2,7H2,1H3.
What are the key properties of 5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole?
5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole has a molecular weight of 259.68 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,2-difluoroethoxy)-1-ethylindole is sourced from PubChem (CID 161495198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).