2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole

C17H12Cl2F3N — CID 163645400

IUPAC2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole
SMILESCn1c(Cc2c(Cl)cccc2Cl)cc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H12Cl2F3N/c1-23-12(9-13-14(18)3-2-4-15(13)19)7-10-5-6-11(8-16(10)23)17(20,21)22/h2-8H,9H2,1H3
InChIKeyIHUJROLWMBTUNO-UHFFFAOYSA-N
MW358.19 g/mol
LogP6.09
Rot. Bonds2

About 2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole

2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole (PubChem CID 163645400) has the molecular formula C17H12Cl2F3N and a molecular weight of 358.19 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole
PubChem CID163645400
Molecular FormulaC17H12Cl2F3N
Molecular Weight358.19 g/mol
Exact Mass357.03
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole
SMILESCn1c(Cc2c(Cl)cccc2Cl)cc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H12Cl2F3N/c1-23-12(9-13-14(18)3-2-4-15(13)19)7-10-5-6-11(8-16(10)23)17(20,21)22/h2-8H,9H2,1H3
InChIKeyIHUJROLWMBTUNO-UHFFFAOYSA-N
XLogP6.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.19
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole (CID 163645400) is 2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole is Cn1c(Cc2c(Cl)cccc2Cl)cc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole?
The InChIKey is IHUJROLWMBTUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N/c1-23-12(9-13-14(18)3-2-4-15(13)19)7-10-5-6-11(8-16(10)23)17(20,21)22/h2-8H,9H2,1H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole?
2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole has a molecular weight of 358.19 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)indole is sourced from PubChem (CID 163645400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).