3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole

C13H12F3N — CID 65335385

IUPAC3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESFC(F)(F)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H12F3N/c14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h1-4,8,17H,5-7H2
InChIKeyZPWUCPKHTDSBAM-UHFFFAOYSA-N
MW239.24 g/mol
LogP3.84
Rot. Bonds

About 3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole

3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 65335385) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID65335385
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESFC(F)(F)C1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H12F3N/c14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h1-4,8,17H,5-7H2
InChIKeyZPWUCPKHTDSBAM-UHFFFAOYSA-N
XLogP3.84
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole (CID 65335385) is 3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole is FC(F)(F)C1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of 3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is ZPWUCPKHTDSBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N/c14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h1-4,8,17H,5-7H2.
What are the key properties of 3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole?
3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 239.24 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 65335385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).