8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine

C12H13FN2 — CID 65333032

IUPAC8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine
SMILESNC1CCCc2[nH]c3c(F)cccc3c21
InChIInChI=1S/C12H13FN2/c13-8-4-1-3-7-11-9(14)5-2-6-10(11)15-12(7)8/h1,3-4,9,15H,2,5-6,14H2
InChIKeyQIPTUTVZABNMFJ-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.64
Rot. Bonds

About 8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine

8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine (PubChem CID 65333032) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine.

Molecular Properties

Compound Name8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine
PubChem CID65333032
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine
SMILESNC1CCCc2[nH]c3c(F)cccc3c21
InChIInChI=1S/C12H13FN2/c13-8-4-1-3-7-11-9(14)5-2-6-10(11)15-12(7)8/h1,3-4,9,15H,2,5-6,14H2
InChIKeyQIPTUTVZABNMFJ-UHFFFAOYSA-N
XLogP2.64
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The IUPAC name of 8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine (CID 65333032) is 8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine.
What is the SMILES notation for 8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The canonical SMILES for 8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine is NC1CCCc2[nH]c3c(F)cccc3c21.
What is the InChIKey of 8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
The InChIKey is QIPTUTVZABNMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-8-4-1-3-7-11-9(14)5-2-6-10(11)15-12(7)8/h1,3-4,9,15H,2,5-6,14H2.
What are the key properties of 8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine?
8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine has a molecular weight of 204.25 g/mol, XLogP of 2.64, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine is sourced from PubChem (CID 65333032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).