6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole

C13H16F3N — CID 71413298

IUPAC6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole
SMILESFC(F)(F)C1=CCC2NC3CCCCC3C2=C1
InChIInChI=1S/C13H16F3N/c14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h5,7,9,11-12,17H,1-4,6H2
InChIKeyCRJJHLAQCYYIPG-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.34
Rot. Bonds

About 6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole

6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole (PubChem CID 71413298) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole
PubChem CID71413298
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole
SMILESFC(F)(F)C1=CCC2NC3CCCCC3C2=C1
InChIInChI=1S/C13H16F3N/c14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h5,7,9,11-12,17H,1-4,6H2
InChIKeyCRJJHLAQCYYIPG-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole?
The IUPAC name of 6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole (CID 71413298) is 6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole.
What is the SMILES notation for 6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole?
The canonical SMILES for 6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole is FC(F)(F)C1=CCC2NC3CCCCC3C2=C1.
What is the InChIKey of 6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole?
The InChIKey is CRJJHLAQCYYIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h5,7,9,11-12,17H,1-4,6H2.
What are the key properties of 6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole?
6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole has a molecular weight of 243.27 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,3,4,4a,8,8a,9,9a-octahydro-1H-carbazole is sourced from PubChem (CID 71413298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).