5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole

C15H8BrClF3N — CID 156881268

IUPAC5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole
SMILESFC(F)(F)c1ccc(-n2ccc3cc(Br)cc(Cl)c32)cc1
InChIInChI=1S/C15H8BrClF3N/c16-11-7-9-5-6-21(14(9)13(17)8-11)12-3-1-10(2-4-12)15(18,19)20/h1-8H
InChIKeyJGVIANBHPZSLHF-UHFFFAOYSA-N
MW374.59 g/mol
LogP6.07
Rot. Bonds1

About 5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole

5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole (PubChem CID 156881268) has the molecular formula C15H8BrClF3N and a molecular weight of 374.59 g/mol. Its IUPAC name is 5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole
PubChem CID156881268
Molecular FormulaC15H8BrClF3N
Molecular Weight374.59 g/mol
Exact Mass372.95
IUPAC Name5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole
SMILESFC(F)(F)c1ccc(-n2ccc3cc(Br)cc(Cl)c32)cc1
InChIInChI=1S/C15H8BrClF3N/c16-11-7-9-5-6-21(14(9)13(17)8-11)12-3-1-10(2-4-12)15(18,19)20/h1-8H
InChIKeyJGVIANBHPZSLHF-UHFFFAOYSA-N
XLogP6.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.59
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole?
The IUPAC name of 5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole (CID 156881268) is 5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole is FC(F)(F)c1ccc(-n2ccc3cc(Br)cc(Cl)c32)cc1.
What is the InChIKey of 5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole?
The InChIKey is JGVIANBHPZSLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClF3N/c16-11-7-9-5-6-21(14(9)13(17)8-11)12-3-1-10(2-4-12)15(18,19)20/h1-8H.
What are the key properties of 5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole?
5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole has a molecular weight of 374.59 g/mol, XLogP of 6.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-1-[4-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 156881268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).