1-[6-(difluoromethoxy)indol-1-yl]ethanone

C11H9F2NO2 — CID 141341359

IUPAC1-[6-(difluoromethoxy)indol-1-yl]ethanone
SMILESCC(=O)n1ccc2ccc(OC(F)F)cc21
InChIInChI=1S/C11H9F2NO2/c1-7(15)14-5-4-8-2-3-9(6-10(8)14)16-11(12)13/h2-6,11H,1H3
InChIKeyZRILGCJYMQWSQI-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.90
Rot. Bonds2

About 1-[6-(difluoromethoxy)indol-1-yl]ethanone

1-[6-(difluoromethoxy)indol-1-yl]ethanone (PubChem CID 141341359) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-[6-(difluoromethoxy)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethoxy)indol-1-yl]ethanone
PubChem CID141341359
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name1-[6-(difluoromethoxy)indol-1-yl]ethanone
SMILESCC(=O)n1ccc2ccc(OC(F)F)cc21
InChIInChI=1S/C11H9F2NO2/c1-7(15)14-5-4-8-2-3-9(6-10(8)14)16-11(12)13/h2-6,11H,1H3
InChIKeyZRILGCJYMQWSQI-UHFFFAOYSA-N
XLogP2.90
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(methylamino)indol-1-yl]ethanone
CID 133054657
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
1-indol-1-ylethanone;hydrochloride
CID 21333501
1-(5-methoxy-6-methylsulfanylindol-1-yl)ethanone
CID 71072893
[5-(difluoromethoxy)indol-1-yl]-[2,5-dimethyl-4-(methylideneamino)phenyl]methanone
CID 167079167
1-(1-acetylindol-6-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 20866283
2-(difluoromethoxy)-7-methoxynaphthalene
CID 118831620
(1-propanoylindol-6-yl) 2-chloroacetate
CID 86002827
1-bromo-1-[5-(difluoromethoxy)-2-fluorophenyl]propan-2-one
CID 131320765
7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene
CID 58839694
6-(difluoromethoxy)naphthalene-2-carbaldehyde
CID 118848493
5-(difluoromethoxy)-1-methylindazole
CID 141364933

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethoxy)indol-1-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethoxy)indol-1-yl]ethanone (CID 141341359) is 1-[6-(difluoromethoxy)indol-1-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethoxy)indol-1-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethoxy)indol-1-yl]ethanone is CC(=O)n1ccc2ccc(OC(F)F)cc21.
What is the InChIKey of 1-[6-(difluoromethoxy)indol-1-yl]ethanone?
The InChIKey is ZRILGCJYMQWSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c1-7(15)14-5-4-8-2-3-9(6-10(8)14)16-11(12)13/h2-6,11H,1H3.
What are the key properties of 1-[6-(difluoromethoxy)indol-1-yl]ethanone?
1-[6-(difluoromethoxy)indol-1-yl]ethanone has a molecular weight of 225.19 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethoxy)indol-1-yl]ethanone is sourced from PubChem (CID 141341359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).