6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole

C13H14F3N — CID 126645507

IUPAC6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole
SMILESFC(F)(F)C1C=CC2=C(C1)C1CCCCC1=N2
InChIInChI=1S/C13H14F3N/c14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h5-6,8-9H,1-4,7H2
InChIKeyOKBBMYQTWIYRJO-UHFFFAOYSA-N
MW241.26 g/mol
LogP4.02
Rot. Bonds

About 6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole

6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole (PubChem CID 126645507) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole
PubChem CID126645507
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole
SMILESFC(F)(F)C1C=CC2=C(C1)C1CCCCC1=N2
InChIInChI=1S/C13H14F3N/c14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h5-6,8-9H,1-4,7H2
InChIKeyOKBBMYQTWIYRJO-UHFFFAOYSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole?
The IUPAC name of 6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole (CID 126645507) is 6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole.
What is the SMILES notation for 6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole?
The canonical SMILES for 6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole is FC(F)(F)C1C=CC2=C(C1)C1CCCCC1=N2.
What is the InChIKey of 6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole?
The InChIKey is OKBBMYQTWIYRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h5-6,8-9H,1-4,7H2.
What are the key properties of 6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole?
6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole has a molecular weight of 241.26 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole is sourced from PubChem (CID 126645507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).