2-tert-butyl-7-(trifluoromethyl)-9H-carbazole

C17H16F3N — CID 46855216

IUPAC2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
SMILESCC(C)(C)c1ccc2c(c1)[nH]c1cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H16F3N/c1-16(2,3)10-4-6-12-13-7-5-11(17(18,19)20)9-15(13)21-14(12)8-10/h4-9,21H,1-3H3
InChIKeyXAQHCEWJSXOCDT-UHFFFAOYSA-N
MW291.32 g/mol
LogP5.64
Rot. Bonds

About 2-tert-butyl-7-(trifluoromethyl)-9H-carbazole

2-tert-butyl-7-(trifluoromethyl)-9H-carbazole (PubChem CID 46855216) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-tert-butyl-7-(trifluoromethyl)-9H-carbazole.

Molecular Properties

Compound Name2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
PubChem CID46855216
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name2-tert-butyl-7-(trifluoromethyl)-9H-carbazole
SMILESCC(C)(C)c1ccc2c(c1)[nH]c1cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H16F3N/c1-16(2,3)10-4-6-12-13-7-5-11(17(18,19)20)9-15(13)21-14(12)8-10/h4-9,21H,1-3H3
InChIKeyXAQHCEWJSXOCDT-UHFFFAOYSA-N
XLogP5.64
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.32
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(trifluoromethyl)-9H-carbazole?
The IUPAC name of 2-tert-butyl-7-(trifluoromethyl)-9H-carbazole (CID 46855216) is 2-tert-butyl-7-(trifluoromethyl)-9H-carbazole.
What is the SMILES notation for 2-tert-butyl-7-(trifluoromethyl)-9H-carbazole?
The canonical SMILES for 2-tert-butyl-7-(trifluoromethyl)-9H-carbazole is CC(C)(C)c1ccc2c(c1)[nH]c1cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-tert-butyl-7-(trifluoromethyl)-9H-carbazole?
The InChIKey is XAQHCEWJSXOCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-16(2,3)10-4-6-12-13-7-5-11(17(18,19)20)9-15(13)21-14(12)8-10/h4-9,21H,1-3H3.
What are the key properties of 2-tert-butyl-7-(trifluoromethyl)-9H-carbazole?
2-tert-butyl-7-(trifluoromethyl)-9H-carbazole has a molecular weight of 291.32 g/mol, XLogP of 5.64, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(trifluoromethyl)-9H-carbazole is sourced from PubChem (CID 46855216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).