5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole

C12H10F3N — CID 79195348

IUPAC5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole
SMILESFc1cc2[nH]c3c(c2c(F)c1F)CCCC3
InChIInChI=1S/C12H10F3N/c13-7-5-9-10(12(15)11(7)14)6-3-1-2-4-8(6)16-9/h5,16H,1-4H2
InChIKeyBQFZGPIBJDTUFK-UHFFFAOYSA-N
MW225.21 g/mol
LogP3.46
Rot. Bonds

About 5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole

5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 79195348) has the molecular formula C12H10F3N and a molecular weight of 225.21 g/mol. Its IUPAC name is 5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID79195348
Molecular FormulaC12H10F3N
Molecular Weight225.21 g/mol
Exact Mass225.08
IUPAC Name5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole
SMILESFc1cc2[nH]c3c(c2c(F)c1F)CCCC3
InChIInChI=1S/C12H10F3N/c13-7-5-9-10(12(15)11(7)14)6-3-1-2-4-8(6)16-9/h5,16H,1-4H2
InChIKeyBQFZGPIBJDTUFK-UHFFFAOYSA-N
XLogP3.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole (CID 79195348) is 5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole is Fc1cc2[nH]c3c(c2c(F)c1F)CCCC3.
What is the InChIKey of 5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is BQFZGPIBJDTUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N/c13-7-5-9-10(12(15)11(7)14)6-3-1-2-4-8(6)16-9/h5,16H,1-4H2.
What are the key properties of 5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole?
5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 225.21 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluoro-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 79195348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).