6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole

C16H10BrF4N — CID 118532413

IUPAC6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole
SMILESFc1cc2ccn(Cc3ccccc3C(F)(F)F)c2cc1Br
InChIInChI=1S/C16H10BrF4N/c17-13-8-15-10(7-14(13)18)5-6-22(15)9-11-3-1-2-4-12(11)16(19,20)21/h1-8H,9H2
InChIKeyOMRRQIUVQLVIFJ-UHFFFAOYSA-N
MW372.16 g/mol
LogP5.61
Rot. Bonds2

About 6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole

6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole (PubChem CID 118532413) has the molecular formula C16H10BrF4N and a molecular weight of 372.16 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole
PubChem CID118532413
Molecular FormulaC16H10BrF4N
Molecular Weight372.16 g/mol
Exact Mass370.99
IUPAC Name6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole
SMILESFc1cc2ccn(Cc3ccccc3C(F)(F)F)c2cc1Br
InChIInChI=1S/C16H10BrF4N/c17-13-8-15-10(7-14(13)18)5-6-22(15)9-11-3-1-2-4-12(11)16(19,20)21/h1-8H,9H2
InChIKeyOMRRQIUVQLVIFJ-UHFFFAOYSA-N
XLogP5.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.16
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Fluoro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 15006441
2-(6-bromo-1H-indol-3-yl)ethanamine
CID 180714
1-Benzyl-5-Bromo-1H-Indole
CID 285756
5-Bromo-1-methyl-1H-indole
CID 285757
(3r,4s)-1-[(2-Bromo-6-Fluorophenyl)methyl]-N,N-Dimethyl-4-(1-Methyl-1h-Indol-3-Yl)pyrrolidin-3-Amine
CID 124220776
1-(4-Fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 15006440
6-Bromo-3-(4-bromophenyl)-1H-indole
CID 118648675
2-(4-Bromophenyl)indolizine
CID 346940
6-Bromo-1-methyl-1H-indole
CID 15546854
3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indole
CID 736229
3-Bromo-1-methyl-1H-indole
CID 13357736
4-Bromo-1-methyl-1H-indole
CID 22558937

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole?
The IUPAC name of 6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole (CID 118532413) is 6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole.
What is the SMILES notation for 6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole?
The canonical SMILES for 6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole is Fc1cc2ccn(Cc3ccccc3C(F)(F)F)c2cc1Br.
What is the InChIKey of 6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole?
The InChIKey is OMRRQIUVQLVIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF4N/c17-13-8-15-10(7-14(13)18)5-6-22(15)9-11-3-1-2-4-12(11)16(19,20)21/h1-8H,9H2.
What are the key properties of 6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole?
6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole has a molecular weight of 372.16 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-[[2-(trifluoromethyl)phenyl]methyl]indole is sourced from PubChem (CID 118532413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).