6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine

C10H11F2N3 — CID 166972102

IUPAC6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine
SMILESCN(C)c1n[nH]c2c1C1C=CC1C2(F)F
InChIInChI=1S/C10H11F2N3/c1-15(2)9-7-5-3-4-6(5)10(11,12)8(7)13-14-9/h3-6H,1-2H3,(H,13,14)
InChIKeyLLEDTNFYSLGUAB-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.85
Rot. Bonds1

About 6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine

6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine (PubChem CID 166972102) has the molecular formula C10H11F2N3 and a molecular weight of 211.21 g/mol. Its IUPAC name is 6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine.

Molecular Properties

Compound Name6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine
PubChem CID166972102
Molecular FormulaC10H11F2N3
Molecular Weight211.21 g/mol
Exact Mass211.09
IUPAC Name6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine
SMILESCN(C)c1n[nH]c2c1C1C=CC1C2(F)F
InChIInChI=1S/C10H11F2N3/c1-15(2)9-7-5-3-4-6(5)10(11,12)8(7)13-14-9/h3-6H,1-2H3,(H,13,14)
InChIKeyLLEDTNFYSLGUAB-UHFFFAOYSA-N
XLogP1.85
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine?
The IUPAC name of 6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine (CID 166972102) is 6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine.
What is the SMILES notation for 6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine?
The canonical SMILES for 6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine is CN(C)c1n[nH]c2c1C1C=CC1C2(F)F.
What is the InChIKey of 6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine?
The InChIKey is LLEDTNFYSLGUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-15(2)9-7-5-3-4-6(5)10(11,12)8(7)13-14-9/h3-6H,1-2H3,(H,13,14).
What are the key properties of 6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine?
6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine has a molecular weight of 211.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-N,N-dimethyl-8,9-diazatricyclo[5.3.0.02,5]deca-1(7),3,9-trien-10-amine is sourced from PubChem (CID 166972102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).