1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone

C17H12F3NO2 — CID 121255006

IUPAC1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1cc(F)ccc1CC(=O)c1c[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C17H12F3NO2/c1-23-15-7-10(18)3-2-9(15)6-14(22)12-8-21-17-11(12)4-5-13(19)16(17)20/h2-5,7-8,21H,6H2,1H3
InChIKeyWMHKJGHFMRFWFN-UHFFFAOYSA-N
MW319.28 g/mol
LogP4.02
Rot. Bonds4

About 1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone

1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone (PubChem CID 121255006) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone
PubChem CID121255006
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1cc(F)ccc1CC(=O)c1c[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C17H12F3NO2/c1-23-15-7-10(18)3-2-9(15)6-14(22)12-8-21-17-11(12)4-5-13(19)16(17)20/h2-5,7-8,21H,6H2,1H3
InChIKeyWMHKJGHFMRFWFN-UHFFFAOYSA-N
XLogP4.02
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methoxyphenyl)-1-(6-methoxy-7-methyl-1H-indol-3-yl)ethanone
CID 121255014
2-(4-chloro-2-methoxyphenyl)-1-(6-methoxy-7-methyl-1H-indol-3-yl)ethanone
CID 122697808
2-(4-chloro-2-methoxyphenyl)-1-(6-fluoro-5-methyl-1H-indol-3-yl)ethanone
CID 122689707
2-(4-chloro-2-methoxyphenyl)-1-[7-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethanone
CID 122697814
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432
1-(5,6-dimethyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-hydroxyethoxy)phenyl]ethanone
CID 161294319
2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 43163430
2-[2-(2-butoxyethoxy)-4-fluorophenyl]-1-(6-methoxy-5-methyl-1H-indol-3-yl)ethanone
CID 126706402
1-(7-fluoro-5-methyl-1H-indol-3-yl)-2-[4-fluoro-2-(2-phenylmethoxyethoxy)phenyl]ethanone
CID 126706430
3-ethyl-7-fluoro-6-methoxy-1H-indole
CID 130049741
3-ethyl-6,7-difluoro-1H-indole
CID 130050075
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 62790793

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone (CID 121255006) is 1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone is COc1cc(F)ccc1CC(=O)c1c[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is WMHKJGHFMRFWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c1-23-15-7-10(18)3-2-9(15)6-14(22)12-8-21-17-11(12)4-5-13(19)16(17)20/h2-5,7-8,21H,6H2,1H3.
What are the key properties of 1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone?
1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 319.28 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-difluoro-1H-indol-3-yl)-2-(4-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 121255006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).