4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine

C12H15FN2 — CID 146571423

IUPAC4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine
SMILESNc1c2c(nc3c1CCC3CF)CCC2
InChIInChI=1S/C12H15FN2/c13-6-7-4-5-9-11(14)8-2-1-3-10(8)15-12(7)9/h7H,1-6H2,(H2,14,15)
InChIKeyDJWSINDIYQUHGV-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.15
Rot. Bonds1

About 4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine

4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine (PubChem CID 146571423) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine.

Molecular Properties

Compound Name4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine
PubChem CID146571423
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine
SMILESNc1c2c(nc3c1CCC3CF)CCC2
InChIInChI=1S/C12H15FN2/c13-6-7-4-5-9-11(14)8-2-1-3-10(8)15-12(7)9/h7H,1-6H2,(H2,14,15)
InChIKeyDJWSINDIYQUHGV-UHFFFAOYSA-N
XLogP2.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine?
The IUPAC name of 4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine (CID 146571423) is 4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine.
What is the SMILES notation for 4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine?
The canonical SMILES for 4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine is Nc1c2c(nc3c1CCC3CF)CCC2.
What is the InChIKey of 4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine?
The InChIKey is DJWSINDIYQUHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-6-7-4-5-9-11(14)8-2-1-3-10(8)15-12(7)9/h7H,1-6H2,(H2,14,15).
What are the key properties of 4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine?
4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine has a molecular weight of 206.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine is sourced from PubChem (CID 146571423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).