ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole

C17H15F6N — CID 142508322

IUPACethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
SMILESCC.Cn1c2cc(C(F)(F)F)ccc2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H9F6N.C2H6/c1-22-12-6-8(14(16,17)18)2-4-10(12)11-5-3-9(7-13(11)22)15(19,20)21;1-2/h2-7H,1H3;1-2H3
InChIKeyFWLSTMKWZLNRKR-UHFFFAOYSA-N
MW347.30 g/mol
LogP6.40
Rot. Bonds

About ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole

ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole (PubChem CID 142508322) has the molecular formula C17H15F6N and a molecular weight of 347.30 g/mol. Its IUPAC name is ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Nameethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
PubChem CID142508322
Molecular FormulaC17H15F6N
Molecular Weight347.30 g/mol
Exact Mass347.11
IUPAC Nameethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
SMILESCC.Cn1c2cc(C(F)(F)F)ccc2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H9F6N.C2H6/c1-22-12-6-8(14(16,17)18)2-4-10(12)11-5-3-9(7-13(11)22)15(19,20)21;1-2/h2-7H,1H3;1-2H3
InChIKeyFWLSTMKWZLNRKR-UHFFFAOYSA-N
XLogP6.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-bis(trifluoromethyl)carbazol-9-amine
CID 139575648
5-methoxy-9-methyl-2-(trifluoromethyl)carbazole
CID 139447926
3-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262969
[1-methyl-6-(trifluoromethyl)indol-3-yl]methanamine
CID 105485238
2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
5-[1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]-1,2-oxazol-4-amine
CID 115108852
2,2-difluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]acetyl fluoride
CID 175473195
2-fluoro-2-[1-methyl-6-(trifluoromethyl)indol-3-yl]propanal
CID 174647556
2,2,2-trifluoro-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]ethanone
CID 86664378
9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole
CID 167454748
3,10-bis(trifluoromethyl)picene
CID 88902241
2-methyl-1-[1-methyl-6-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117122078

Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole?
The IUPAC name of ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole (CID 142508322) is ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole.
What is the SMILES notation for ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole?
The canonical SMILES for ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole is CC.Cn1c2cc(C(F)(F)F)ccc2c2ccc(C(F)(F)F)cc21.
What is the InChIKey of ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole?
The InChIKey is FWLSTMKWZLNRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N.C2H6/c1-22-12-6-8(14(16,17)18)2-4-10(12)11-5-3-9(7-13(11)22)15(19,20)21;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole?
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole has a molecular weight of 347.30 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 142508322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).