ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone

C12H12F3NO — CID 91288381

IUPACethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
SMILESCC.O=C(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C10H6F3NO.C2H6/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8;1-2/h1-5,14H;1-2H3
InChIKeyGQEXCLOAEAPFIM-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.94
Rot. Bonds1

About ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone

ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone (PubChem CID 91288381) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Nameethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
PubChem CID91288381
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Nameethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
SMILESCC.O=C(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C10H6F3NO.C2H6/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8;1-2/h1-5,14H;1-2H3
InChIKeyGQEXCLOAEAPFIM-UHFFFAOYSA-N
XLogP3.94
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-hydroxy-1-(1H-indol-3-yl)butan-1-one
CID 129320780
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
CID 145106752
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
(Z)-4,4,4-trifluoro-3-(1H-indol-3-yl)but-2-enal
CID 23240219
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
CID 60891221
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone?
The IUPAC name of ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone (CID 91288381) is ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone is CC.O=C(c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone?
The InChIKey is GQEXCLOAEAPFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO.C2H6/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8;1-2/h1-5,14H;1-2H3.
What are the key properties of ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone?
ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone has a molecular weight of 243.23 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 91288381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).