3-methyl-6-(trifluoromethyl)-9H-carbazole

C14H10F3N — CID 46855064

IUPAC3-methyl-6-(trifluoromethyl)-9H-carbazole
SMILESCc1ccc2[nH]c3ccc(C(F)(F)F)cc3c2c1
InChIInChI=1S/C14H10F3N/c1-8-2-4-12-10(6-8)11-7-9(14(15,16)17)3-5-13(11)18-12/h2-7,18H,1H3
InChIKeyKIKCAVCUKRAGJM-UHFFFAOYSA-N
MW249.24 g/mol
LogP4.65
Rot. Bonds

About 3-methyl-6-(trifluoromethyl)-9H-carbazole

3-methyl-6-(trifluoromethyl)-9H-carbazole (PubChem CID 46855064) has the molecular formula C14H10F3N and a molecular weight of 249.24 g/mol. Its IUPAC name is 3-methyl-6-(trifluoromethyl)-9H-carbazole.

Molecular Properties

Compound Name3-methyl-6-(trifluoromethyl)-9H-carbazole
PubChem CID46855064
Molecular FormulaC14H10F3N
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name3-methyl-6-(trifluoromethyl)-9H-carbazole
SMILESCc1ccc2[nH]c3ccc(C(F)(F)F)cc3c2c1
InChIInChI=1S/C14H10F3N/c1-8-2-4-12-10(6-8)11-7-9(14(15,16)17)3-5-13(11)18-12/h2-7,18H,1H3
InChIKeyKIKCAVCUKRAGJM-UHFFFAOYSA-N
XLogP4.65
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(trifluoromethyl)-9H-carbazole?
The IUPAC name of 3-methyl-6-(trifluoromethyl)-9H-carbazole (CID 46855064) is 3-methyl-6-(trifluoromethyl)-9H-carbazole.
What is the SMILES notation for 3-methyl-6-(trifluoromethyl)-9H-carbazole?
The canonical SMILES for 3-methyl-6-(trifluoromethyl)-9H-carbazole is Cc1ccc2[nH]c3ccc(C(F)(F)F)cc3c2c1.
What is the InChIKey of 3-methyl-6-(trifluoromethyl)-9H-carbazole?
The InChIKey is KIKCAVCUKRAGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N/c1-8-2-4-12-10(6-8)11-7-9(14(15,16)17)3-5-13(11)18-12/h2-7,18H,1H3.
What are the key properties of 3-methyl-6-(trifluoromethyl)-9H-carbazole?
3-methyl-6-(trifluoromethyl)-9H-carbazole has a molecular weight of 249.24 g/mol, XLogP of 4.65, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(trifluoromethyl)-9H-carbazole is sourced from PubChem (CID 46855064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).