2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone

C16H12F3NO — CID 136513866

IUPAC2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCc2ccc(F)cc21
InChIInChI=1S/C16H12F3NO/c17-12-3-2-11-5-6-20(15(11)9-12)16(21)8-10-1-4-13(18)14(19)7-10/h1-4,7,9H,5-6,8H2
InChIKeyMFFUOGMXDDROGA-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.24
Rot. Bonds2

About 2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone

2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 136513866) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
PubChem CID136513866
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1ccc(F)c(F)c1)N1CCc2ccc(F)cc21
InChIInChI=1S/C16H12F3NO/c17-12-3-2-11-5-6-20(15(11)9-12)16(21)8-10-1-4-13(18)14(19)7-10/h1-4,7,9H,5-6,8H2
InChIKeyMFFUOGMXDDROGA-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103493820
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
2-[2-(aminomethyl)phenyl]-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495285
[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495293
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
CID 103495606
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
CID 126779263
3-[2-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]benzoic acid
CID 167824242
5-(6-fluoro-2,3-dihydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 103494270
2-(2-amino-1,3-thiazol-4-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495292
2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 104872444

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone (CID 136513866) is 2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone is O=C(Cc1ccc(F)c(F)c1)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is MFFUOGMXDDROGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-12-3-2-11-5-6-20(15(11)9-12)16(21)8-10-1-4-13(18)14(19)7-10/h1-4,7,9H,5-6,8H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone?
2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 291.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 136513866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).