1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one

C12H12F3NO — CID 116612061

IUPAC1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
SMILESO=C(CCC(F)(F)F)c1ccc2c(c1)NCC2
InChIInChI=1S/C12H12F3NO/c13-12(14,15)5-3-11(17)9-2-1-8-4-6-16-10(8)7-9/h1-2,7,16H,3-6H2
InChIKeyQPEPBDSTWCIARN-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.18
Rot. Bonds3

About 1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one

1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one (PubChem CID 116612061) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
PubChem CID116612061
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
SMILESO=C(CCC(F)(F)F)c1ccc2c(c1)NCC2
InChIInChI=1S/C12H12F3NO/c13-12(14,15)5-3-11(17)9-2-1-8-4-6-16-10(8)7-9/h1-2,7,16H,3-6H2
InChIKeyQPEPBDSTWCIARN-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-indol-6-yl)-5,5,5-trifluoropentan-1-one
CID 116612013
2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 105412085
1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one
CID 116611981
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 103052472
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116611894
(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 116611865
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116612097
1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116611918
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 106272804
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742
4,4,4-trifluoro-1-quinoxalin-6-ylbutan-1-one
CID 64567570
prop-2-enyl 2,3-dihydro-1H-indole-6-carboxylate;hydrochloride
CID 66972289

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one (CID 116612061) is 1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one is O=C(CCC(F)(F)F)c1ccc2c(c1)NCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one?
The InChIKey is QPEPBDSTWCIARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)5-3-11(17)9-2-1-8-4-6-16-10(8)7-9/h1-2,7,16H,3-6H2.
What are the key properties of 1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one?
1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one has a molecular weight of 243.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 116612061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).