5-methoxy-9-methyl-2-(trifluoromethyl)carbazole

C15H12F3NO — CID 139447926

IUPAC5-methoxy-9-methyl-2-(trifluoromethyl)carbazole
SMILESCOc1cccc2c1c1ccc(C(F)(F)F)cc1n2C
InChIInChI=1S/C15H12F3NO/c1-19-11-4-3-5-13(20-2)14(11)10-7-6-9(8-12(10)19)15(16,17)18/h3-8H,1-2H3
InChIKeyVNNLOAJWNDHOQH-UHFFFAOYSA-N
MW279.26 g/mol
LogP4.36
Rot. Bonds1

About 5-methoxy-9-methyl-2-(trifluoromethyl)carbazole

5-methoxy-9-methyl-2-(trifluoromethyl)carbazole (PubChem CID 139447926) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 5-methoxy-9-methyl-2-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name5-methoxy-9-methyl-2-(trifluoromethyl)carbazole
PubChem CID139447926
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name5-methoxy-9-methyl-2-(trifluoromethyl)carbazole
SMILESCOc1cccc2c1c1ccc(C(F)(F)F)cc1n2C
InChIInChI=1S/C15H12F3NO/c1-19-11-4-3-5-13(20-2)14(11)10-7-6-9(8-12(10)19)15(16,17)18/h3-8H,1-2H3
InChIKeyVNNLOAJWNDHOQH-UHFFFAOYSA-N
XLogP4.36
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-2,9-dimethylcarbazole
CID 86239473
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
2-butyl-5-methoxy-9-methylcarbazole
CID 86239479
6,7-difluoro-1-methoxy-10-methylacridin-9-one
CID 102061435
3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole
CID 115045950
1-methoxy-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193815
4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 54676573
1-methyl-3-pyrrolidin-2-yl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262897
4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
CID 18316636
10-methoxy-3-(trifluoromethyl)benzo[b]xanthen-12-one
CID 135167601
5-methoxy-9-methyl-2H-pyrido[3,4-b]indol-1-one
CID 115036593
3-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262969

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-9-methyl-2-(trifluoromethyl)carbazole?
The IUPAC name of 5-methoxy-9-methyl-2-(trifluoromethyl)carbazole (CID 139447926) is 5-methoxy-9-methyl-2-(trifluoromethyl)carbazole.
What is the SMILES notation for 5-methoxy-9-methyl-2-(trifluoromethyl)carbazole?
The canonical SMILES for 5-methoxy-9-methyl-2-(trifluoromethyl)carbazole is COc1cccc2c1c1ccc(C(F)(F)F)cc1n2C.
What is the InChIKey of 5-methoxy-9-methyl-2-(trifluoromethyl)carbazole?
The InChIKey is VNNLOAJWNDHOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-19-11-4-3-5-13(20-2)14(11)10-7-6-9(8-12(10)19)15(16,17)18/h3-8H,1-2H3.
What are the key properties of 5-methoxy-9-methyl-2-(trifluoromethyl)carbazole?
5-methoxy-9-methyl-2-(trifluoromethyl)carbazole has a molecular weight of 279.26 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-9-methyl-2-(trifluoromethyl)carbazole is sourced from PubChem (CID 139447926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).