6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine

C12H15FN2 — CID 83833422

IUPAC6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine
SMILESNC1CCC2Nc3ccc(F)cc3C2C1
InChIInChI=1S/C12H15FN2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1,3,5,8,10,12,15H,2,4,6,14H2
InChIKeyRMUCZBVJPVAAPG-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.21
Rot. Bonds

About 6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine

6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine (PubChem CID 83833422) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine
PubChem CID83833422
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine
SMILESNC1CCC2Nc3ccc(F)cc3C2C1
InChIInChI=1S/C12H15FN2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1,3,5,8,10,12,15H,2,4,6,14H2
InChIKeyRMUCZBVJPVAAPG-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine?
The IUPAC name of 6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine (CID 83833422) is 6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine.
What is the SMILES notation for 6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine?
The canonical SMILES for 6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine is NC1CCC2Nc3ccc(F)cc3C2C1.
What is the InChIKey of 6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine?
The InChIKey is RMUCZBVJPVAAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1,3,5,8,10,12,15H,2,4,6,14H2.
What are the key properties of 6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine?
6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine has a molecular weight of 206.26 g/mol, XLogP of 2.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3,4,4a,9,9a-hexahydro-1H-carbazol-3-amine is sourced from PubChem (CID 83833422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).