1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one

C13H14F3NO — CID 116593583

IUPAC1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)CC1CNc2ccccc21
InChIInChI=1S/C13H14F3NO/c14-13(15,16)6-5-10(18)7-9-8-17-12-4-2-1-3-11(9)12/h1-4,9,17H,5-8H2
InChIKeyRRMDMTIPHBQWGF-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.50
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one

1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one (PubChem CID 116593583) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one
PubChem CID116593583
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)CC1CNc2ccccc21
InChIInChI=1S/C13H14F3NO/c14-13(15,16)6-5-10(18)7-9-8-17-12-4-2-1-3-11(9)12/h1-4,9,17H,5-8H2
InChIKeyRRMDMTIPHBQWGF-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 80573170
1-(2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593548
1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593523
2-(2,3-dihydro-1H-indol-3-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217538
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 80577041
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
1-(1,4-diazepan-1-yl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 80573143
4-(2,3-dihydro-1H-indol-3-yl)butanamide
CID 67613869
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
1-(4-bromo-2-chlorophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593495

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one (CID 116593583) is 1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one is O=C(CCC(F)(F)F)CC1CNc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one?
The InChIKey is RRMDMTIPHBQWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)6-5-10(18)7-9-8-17-12-4-2-1-3-11(9)12/h1-4,9,17H,5-8H2.
What are the key properties of 1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one?
1-(2,3-dihydro-1H-indol-3-yl)-5,5,5-trifluoropentan-2-one has a molecular weight of 257.25 g/mol, XLogP of 3.50, 4 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-3-yl)-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 116593583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).