6-fluoro-2,3,4,5-tetrahydroindol-1-amine

C8H11FN2 — CID 89009830

IUPAC6-fluoro-2,3,4,5-tetrahydroindol-1-amine
SMILESNN1CCC2=C1C=C(F)CC2
InChIInChI=1S/C8H11FN2/c9-7-2-1-6-3-4-11(10)8(6)5-7/h5H,1-4,10H2
InChIKeyPWQXEMRLTGRTGQ-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.47
Rot. Bonds

About 6-fluoro-2,3,4,5-tetrahydroindol-1-amine

6-fluoro-2,3,4,5-tetrahydroindol-1-amine (PubChem CID 89009830) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 6-fluoro-2,3,4,5-tetrahydroindol-1-amine.

Molecular Properties

Compound Name6-fluoro-2,3,4,5-tetrahydroindol-1-amine
PubChem CID89009830
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name6-fluoro-2,3,4,5-tetrahydroindol-1-amine
SMILESNN1CCC2=C1C=C(F)CC2
InChIInChI=1S/C8H11FN2/c9-7-2-1-6-3-4-11(10)8(6)5-7/h5H,1-4,10H2
InChIKeyPWQXEMRLTGRTGQ-UHFFFAOYSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3,4,5-tetrahydroindol-1-amine?
The IUPAC name of 6-fluoro-2,3,4,5-tetrahydroindol-1-amine (CID 89009830) is 6-fluoro-2,3,4,5-tetrahydroindol-1-amine.
What is the SMILES notation for 6-fluoro-2,3,4,5-tetrahydroindol-1-amine?
The canonical SMILES for 6-fluoro-2,3,4,5-tetrahydroindol-1-amine is NN1CCC2=C1C=C(F)CC2.
What is the InChIKey of 6-fluoro-2,3,4,5-tetrahydroindol-1-amine?
The InChIKey is PWQXEMRLTGRTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c9-7-2-1-6-3-4-11(10)8(6)5-7/h5H,1-4,10H2.
What are the key properties of 6-fluoro-2,3,4,5-tetrahydroindol-1-amine?
6-fluoro-2,3,4,5-tetrahydroindol-1-amine has a molecular weight of 154.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3,4,5-tetrahydroindol-1-amine is sourced from PubChem (CID 89009830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).