5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole

C20H17BrF3NO — CID 173238321

IUPAC5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole
SMILESFC(F)(F)c1cccc(Br)c1Oc1ccc2[nH]cc(CC3CCC3)c2c1
InChIInChI=1S/C20H17BrF3NO/c21-17-6-2-5-16(20(22,23)24)19(17)26-14-7-8-18-15(10-14)13(11-25-18)9-12-3-1-4-12/h2,5-8,10-12,25H,1,3-4,9H2
InChIKeyZCUFLFQPMLXSGR-UHFFFAOYSA-N
MW424.26 g/mol
LogP7.08
Rot. Bonds4

About 5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole

5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole (PubChem CID 173238321) has the molecular formula C20H17BrF3NO and a molecular weight of 424.26 g/mol. Its IUPAC name is 5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole.

Molecular Properties

Compound Name5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole
PubChem CID173238321
Molecular FormulaC20H17BrF3NO
Molecular Weight424.26 g/mol
Exact Mass423.04
IUPAC Name5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole
SMILESFC(F)(F)c1cccc(Br)c1Oc1ccc2[nH]cc(CC3CCC3)c2c1
InChIInChI=1S/C20H17BrF3NO/c21-17-6-2-5-16(20(22,23)24)19(17)26-14-7-8-18-15(10-14)13(11-25-18)9-12-3-1-4-12/h2,5-8,10-12,25H,1,3-4,9H2
InChIKeyZCUFLFQPMLXSGR-UHFFFAOYSA-N
XLogP7.08
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.26
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenoxy]acetic acid
CID 22669887
5-bromo-3-(cyclobutylmethyl)-1H-indole
CID 106985526
2-[3-bromo-4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-5-(trifluoromethyl)phenyl]acetic acid
CID 22669391
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417
7-bromo-3-(cyclobutylmethyl)-5-fluoro-1H-indole
CID 106985524
2-[3-bromo-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-5-(trifluoromethyl)anilino]acetic acid
CID 22669387
2-[4-[(3-hexyl-1H-indol-5-yl)oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid
CID 22669793
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854871
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
2-[4-[(3-cyclopropyl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenoxy]acetic acid
CID 22669655
2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3-methyl-5-(trifluoromethyl)phenyl]acetic acid
CID 22669727
2-[3-methyl-4-[[3-(2-methylpropyl)-1H-indol-5-yl]oxy]-5-(trifluoromethyl)phenoxy]acetic acid
CID 22669490

Frequently Asked Questions

What is the IUPAC name of 5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole?
The IUPAC name of 5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole (CID 173238321) is 5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole.
What is the SMILES notation for 5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole?
The canonical SMILES for 5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole is FC(F)(F)c1cccc(Br)c1Oc1ccc2[nH]cc(CC3CCC3)c2c1.
What is the InChIKey of 5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole?
The InChIKey is ZCUFLFQPMLXSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF3NO/c21-17-6-2-5-16(20(22,23)24)19(17)26-14-7-8-18-15(10-14)13(11-25-18)9-12-3-1-4-12/h2,5-8,10-12,25H,1,3-4,9H2.
What are the key properties of 5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole?
5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole has a molecular weight of 424.26 g/mol, XLogP of 7.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bromo-6-(trifluoromethyl)phenoxy]-3-(cyclobutylmethyl)-1H-indole is sourced from PubChem (CID 173238321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).