1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine

C14H13F3N2 — CID 62812939

IUPAC1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H13F3N2/c15-10-6-8(7-11(16)14(10)17)19-5-4-9-12(18)2-1-3-13(9)19/h4-7,12H,1-3,18H2
InChIKeyOLCVSJKITLGWMO-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.23
Rot. Bonds1

About 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine

1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 62812939) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID62812939
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESNC1CCCc2c1ccn2-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H13F3N2/c15-10-6-8(7-11(16)14(10)17)19-5-4-9-12(18)2-1-3-13(9)19/h4-7,12H,1-3,18H2
InChIKeyOLCVSJKITLGWMO-UHFFFAOYSA-N
XLogP3.23
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine (CID 62812939) is 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine is NC1CCCc2c1ccn2-c1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is OLCVSJKITLGWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-10-6-8(7-11(16)14(10)17)19-5-4-9-12(18)2-1-3-13(9)19/h4-7,12H,1-3,18H2.
What are the key properties of 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine?
1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 266.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trifluorophenyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 62812939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).