6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole

C18H15ClF3NO — CID 67244608

IUPAC6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole
SMILESCc1c(C)n(Cc2cccc(OC(F)(F)F)c2)c2cc(Cl)ccc12
InChIInChI=1S/C18H15ClF3NO/c1-11-12(2)23(17-9-14(19)6-7-16(11)17)10-13-4-3-5-15(8-13)24-18(20,21)22/h3-9H,10H2,1-2H3
InChIKeyNBQZIZHOURUKTP-UHFFFAOYSA-N
MW353.77 g/mol
LogP5.86
Rot. Bonds3

About 6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole

6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole (PubChem CID 67244608) has the molecular formula C18H15ClF3NO and a molecular weight of 353.77 g/mol. Its IUPAC name is 6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole.

Molecular Properties

Compound Name6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole
PubChem CID67244608
Molecular FormulaC18H15ClF3NO
Molecular Weight353.77 g/mol
Exact Mass353.08
IUPAC Name6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole
SMILESCc1c(C)n(Cc2cccc(OC(F)(F)F)c2)c2cc(Cl)ccc12
InChIInChI=1S/C18H15ClF3NO/c1-11-12(2)23(17-9-14(19)6-7-16(11)17)10-13-4-3-5-15(8-13)24-18(20,21)22/h3-9H,10H2,1-2H3
InChIKeyNBQZIZHOURUKTP-UHFFFAOYSA-N
XLogP5.86
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.77
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole?
The IUPAC name of 6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole (CID 67244608) is 6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole.
What is the SMILES notation for 6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole?
The canonical SMILES for 6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole is Cc1c(C)n(Cc2cccc(OC(F)(F)F)c2)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole?
The InChIKey is NBQZIZHOURUKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3NO/c1-11-12(2)23(17-9-14(19)6-7-16(11)17)10-13-4-3-5-15(8-13)24-18(20,21)22/h3-9H,10H2,1-2H3.
What are the key properties of 6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole?
6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole has a molecular weight of 353.77 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indole is sourced from PubChem (CID 67244608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).