1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone

C17H12F5NO2 — CID 112834091

IUPAC1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)N1CCc2c(F)cc(F)cc21
InChIInChI=1S/C17H12F5NO2/c18-11-8-14(19)13-5-6-23(15(13)9-11)16(24)7-10-1-3-12(4-2-10)25-17(20,21)22/h1-4,8-9H,5-7H2
InChIKeyPJGMWUSCRIWKDN-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.00
Rot. Bonds3

About 1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone

1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 112834091) has the molecular formula C17H12F5NO2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID112834091
Molecular FormulaC17H12F5NO2
Molecular Weight357.28 g/mol
Exact Mass357.08
IUPAC Name1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)N1CCc2c(F)cc(F)cc21
InChIInChI=1S/C17H12F5NO2/c18-11-8-14(19)13-5-6-23(15(13)9-11)16(24)7-10-1-3-12(4-2-10)25-17(20,21)22/h1-4,8-9H,5-7H2
InChIKeyPJGMWUSCRIWKDN-UHFFFAOYSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,6-dimethyl-2,3-dihydroquinoxalin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 167849670
4,6-difluoro-2,3-dihydroindole-1-carboxylic acid
CID 175962184
2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 131264590
2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone
CID 142476991
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 120737654
1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 55739423
(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone
CID 112833897
2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 136513866
1-[1-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 75452424
1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86777202
2-(4-chloro-2-methylphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone
CID 170306537
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 78880225

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone (CID 112834091) is 1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone is O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCc2c(F)cc(F)cc21.
What is the InChIKey of 1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is PJGMWUSCRIWKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5NO2/c18-11-8-14(19)13-5-6-23(15(13)9-11)16(24)7-10-1-3-12(4-2-10)25-17(20,21)22/h1-4,8-9H,5-7H2.
What are the key properties of 1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone?
1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 357.28 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 112834091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).