3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole

C13H12F3N — CID 150901028

IUPAC3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole
SMILESFC(F)(F)C1=CCC2=NC3=CCCCC3=C2C1
InChIInChI=1S/C13H12F3N/c14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h4-5H,1-3,6-7H2
InChIKeyKZZUTUAYLDEHCT-UHFFFAOYSA-N
MW239.24 g/mol
LogP4.09
Rot. Bonds

About 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole

3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole (PubChem CID 150901028) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole
PubChem CID150901028
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole
SMILESFC(F)(F)C1=CCC2=NC3=CCCCC3=C2C1
InChIInChI=1S/C13H12F3N/c14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h4-5H,1-3,6-7H2
InChIKeyKZZUTUAYLDEHCT-UHFFFAOYSA-N
XLogP4.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole?
The IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole (CID 150901028) is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole.
What is the SMILES notation for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole?
The canonical SMILES for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole is FC(F)(F)C1=CCC2=NC3=CCCCC3=C2C1.
What is the InChIKey of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole?
The InChIKey is KZZUTUAYLDEHCT-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/h4-5H,1-3,6-7H2.
What are the key properties of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole?
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole has a molecular weight of 239.24 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-carbazole is sourced from PubChem (CID 150901028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).