9-butan-2-yl-2-(trifluoromethyl)carbazole

C17H16F3N — CID 139447892

IUPAC9-butan-2-yl-2-(trifluoromethyl)carbazole
SMILESCCC(C)n1c2ccccc2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H16F3N/c1-3-11(2)21-15-7-5-4-6-13(15)14-9-8-12(10-16(14)21)17(18,19)20/h4-11H,3H2,1-2H3
InChIKeyLJMHDXXKOCMOEI-UHFFFAOYSA-N
MW291.32 g/mol
LogP5.78
Rot. Bonds2

About 9-butan-2-yl-2-(trifluoromethyl)carbazole

9-butan-2-yl-2-(trifluoromethyl)carbazole (PubChem CID 139447892) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 9-butan-2-yl-2-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-butan-2-yl-2-(trifluoromethyl)carbazole
PubChem CID139447892
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name9-butan-2-yl-2-(trifluoromethyl)carbazole
SMILESCCC(C)n1c2ccccc2c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H16F3N/c1-3-11(2)21-15-7-5-4-6-13(15)14-9-8-12(10-16(14)21)17(18,19)20/h4-11H,3H2,1-2H3
InChIKeyLJMHDXXKOCMOEI-UHFFFAOYSA-N
XLogP5.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.32
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

potassium;9-butan-2-ylcarbazole;methane;phosphanide;vanadium
CID 159100330
3-bromo-9-butan-2-ylcarbazole
CID 176624773
potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium
CID 157215207
1-butan-2-yl-2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46309907
9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
CID 167189366
1-butan-2-yl-3-(trifluoromethyl)indole
CID 171833339
4-bromo-9-butan-2-ylcarbazole
CID 176624774
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
1-butan-2-yl-2-propyl-5-(trifluoromethyl)benzimidazole
CID 46309881
9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole
CID 90277489
2,7-bis(trifluoromethyl)carbazol-9-amine
CID 139575648
5-methyl-9-pentadecan-8-yl-2-(trifluoromethyl)carbazole
CID 139448067

Frequently Asked Questions

What is the IUPAC name of 9-butan-2-yl-2-(trifluoromethyl)carbazole?
The IUPAC name of 9-butan-2-yl-2-(trifluoromethyl)carbazole (CID 139447892) is 9-butan-2-yl-2-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-butan-2-yl-2-(trifluoromethyl)carbazole?
The canonical SMILES for 9-butan-2-yl-2-(trifluoromethyl)carbazole is CCC(C)n1c2ccccc2c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 9-butan-2-yl-2-(trifluoromethyl)carbazole?
The InChIKey is LJMHDXXKOCMOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-3-11(2)21-15-7-5-4-6-13(15)14-9-8-12(10-16(14)21)17(18,19)20/h4-11H,3H2,1-2H3.
What are the key properties of 9-butan-2-yl-2-(trifluoromethyl)carbazole?
9-butan-2-yl-2-(trifluoromethyl)carbazole has a molecular weight of 291.32 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butan-2-yl-2-(trifluoromethyl)carbazole is sourced from PubChem (CID 139447892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).