5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C15H17F3N2 — CID 65333328

IUPAC5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCCCNC1CCc2[nH]c3c(F)cc(F)c(F)c3c2C1
InChIInChI=1S/C15H17F3N2/c1-2-5-19-8-3-4-12-9(6-8)13-14(18)10(16)7-11(17)15(13)20-12/h7-8,19-20H,2-6H2,1H3
InChIKeyYRIBURKHAFBGSF-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.44
Rot. Bonds3

About 5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 65333328) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID65333328
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCCCNC1CCc2[nH]c3c(F)cc(F)c(F)c3c2C1
InChIInChI=1S/C15H17F3N2/c1-2-5-19-8-3-4-12-9(6-8)13-14(18)10(16)7-11(17)15(13)20-12/h7-8,19-20H,2-6H2,1H3
InChIKeyYRIBURKHAFBGSF-UHFFFAOYSA-N
XLogP3.44
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of 5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 65333328) is 5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for 5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for 5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CCCNC1CCc2[nH]c3c(F)cc(F)c(F)c3c2C1.
What is the InChIKey of 5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is YRIBURKHAFBGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-2-5-19-8-3-4-12-9(6-8)13-14(18)10(16)7-11(17)15(13)20-12/h7-8,19-20H,2-6H2,1H3.
What are the key properties of 5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 282.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trifluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 65333328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).