1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane

C12H11ClF3NO — CID 145106752

IUPAC1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
SMILESCC.O=C(c1c[nH]c2cccc(Cl)c12)C(F)(F)F
InChIInChI=1S/C10H5ClF3NO.C2H6/c11-6-2-1-3-7-8(6)5(4-15-7)9(16)10(12,13)14;1-2/h1-4,15H;1-2H3
InChIKeyIBZVQAFFRIUQJL-UHFFFAOYSA-N
MW277.67 g/mol
LogP4.59
Rot. Bonds1

About 1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane

1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane (PubChem CID 145106752) has the molecular formula C12H11ClF3NO and a molecular weight of 277.67 g/mol. Its IUPAC name is 1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane.

Molecular Properties

Compound Name1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
PubChem CID145106752
Molecular FormulaC12H11ClF3NO
Molecular Weight277.67 g/mol
Exact Mass277.05
IUPAC Name1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
SMILESCC.O=C(c1c[nH]c2cccc(Cl)c12)C(F)(F)F
InChIInChI=1S/C10H5ClF3NO.C2H6/c11-6-2-1-3-7-8(6)5(4-15-7)9(16)10(12,13)14;1-2/h1-4,15H;1-2H3
InChIKeyIBZVQAFFRIUQJL-UHFFFAOYSA-N
XLogP4.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 91288381
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
(3-chloro-4-fluorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 82874432
4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide
CID 121393354
(4-chloro-1H-indol-3-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882290
(5-amino-2,4-dimethylphenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 102707056
2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
CID 43163357
1-[3-chloro-2-(2,2,2-trifluoroacetyl)phenyl]-2,2,2-trifluoroethanone
CID 87575430
(3-bromo-4-chlorophenyl)-(4-chloro-1H-indol-3-yl)methanone
CID 107998363
1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162533
1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176610

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane?
The IUPAC name of 1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane (CID 145106752) is 1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane.
What is the SMILES notation for 1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane?
The canonical SMILES for 1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane is CC.O=C(c1c[nH]c2cccc(Cl)c12)C(F)(F)F.
What is the InChIKey of 1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane?
The InChIKey is IBZVQAFFRIUQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO.C2H6/c11-6-2-1-3-7-8(6)5(4-15-7)9(16)10(12,13)14;1-2/h1-4,15H;1-2H3.
What are the key properties of 1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane?
1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane has a molecular weight of 277.67 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane is sourced from PubChem (CID 145106752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).