5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole

C16H11BrF3N — CID 116619723

IUPAC5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole
SMILESFC(F)(F)c1cccc(Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C16H11BrF3N/c17-14-4-5-15-12(9-14)6-7-21(15)10-11-2-1-3-13(8-11)16(18,19)20/h1-9H,10H2
InChIKeyRMMIQSSGVCPSLE-UHFFFAOYSA-N
MW354.17 g/mol
LogP5.47
Rot. Bonds2

About 5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole

5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole (PubChem CID 116619723) has the molecular formula C16H11BrF3N and a molecular weight of 354.17 g/mol. Its IUPAC name is 5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole.

Molecular Properties

Compound Name5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole
PubChem CID116619723
Molecular FormulaC16H11BrF3N
Molecular Weight354.17 g/mol
Exact Mass353.00
IUPAC Name5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole
SMILESFC(F)(F)c1cccc(Cn2ccc3cc(Br)ccc32)c1
InChIInChI=1S/C16H11BrF3N/c17-14-4-5-15-12(9-14)6-7-21(15)10-11-2-1-3-13(8-11)16(18,19)20/h1-9H,10H2
InChIKeyRMMIQSSGVCPSLE-UHFFFAOYSA-N
XLogP5.47
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.17
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
trimethyl-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-6-yl]silane
CID 141355979
[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
CID 83968569
1-[(3-bromophenyl)methyl]indole
CID 22256844
5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041480
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
4-[(5-bromoindol-1-yl)methyl]benzoic acid
CID 4576218
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
5-bromo-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 116619663
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole?
The IUPAC name of 5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole (CID 116619723) is 5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole.
What is the SMILES notation for 5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole?
The canonical SMILES for 5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole is FC(F)(F)c1cccc(Cn2ccc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole?
The InChIKey is RMMIQSSGVCPSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3N/c17-14-4-5-15-12(9-14)6-7-21(15)10-11-2-1-3-13(8-11)16(18,19)20/h1-9H,10H2.
What are the key properties of 5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole?
5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole has a molecular weight of 354.17 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]indole is sourced from PubChem (CID 116619723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).