1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone

C16H6Cl4F3NO — CID 23352168

IUPAC1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1c(-c2cc(Cl)cc(Cl)c2)[nH]c2c(Cl)cc(Cl)cc12)C(F)(F)F
InChIInChI=1S/C16H6Cl4F3NO/c17-7-1-6(2-8(18)3-7)13-12(15(25)16(21,22)23)10-4-9(19)5-11(20)14(10)24-13/h1-5,24H
InChIKeyCKUYQXRAWDKUOY-UHFFFAOYSA-N
MW427.04 g/mol
LogP7.19
Rot. Bonds2

About 1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone

1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone (PubChem CID 23352168) has the molecular formula C16H6Cl4F3NO and a molecular weight of 427.04 g/mol. Its IUPAC name is 1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
PubChem CID23352168
Molecular FormulaC16H6Cl4F3NO
Molecular Weight427.04 g/mol
Exact Mass424.92
IUPAC Name1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1c(-c2cc(Cl)cc(Cl)c2)[nH]c2c(Cl)cc(Cl)cc12)C(F)(F)F
InChIInChI=1S/C16H6Cl4F3NO/c17-7-1-6(2-8(18)3-7)13-12(15(25)16(21,22)23)10-4-9(19)5-11(20)14(10)24-13/h1-5,24H
InChIKeyCKUYQXRAWDKUOY-UHFFFAOYSA-N
XLogP7.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.04
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone (CID 23352168) is 1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone is O=C(c1c(-c2cc(Cl)cc(Cl)c2)[nH]c2c(Cl)cc(Cl)cc12)C(F)(F)F.
What is the InChIKey of 1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is CKUYQXRAWDKUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6Cl4F3NO/c17-7-1-6(2-8(18)3-7)13-12(15(25)16(21,22)23)10-4-9(19)5-11(20)14(10)24-13/h1-5,24H.
What are the key properties of 1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone?
1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 427.04 g/mol, XLogP of 7.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,7-dichloro-2-(3,5-dichlorophenyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 23352168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).