5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine

C10H12F3N — CID 154499412

IUPAC5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine
SMILESCC1=C/N=C(/C(F)(F)F)CCC(C)=C1
InChIInChI=1S/C10H12F3N/c1-7-3-4-9(10(11,12)13)14-6-8(2)5-7/h5-6H,3-4H2,1-2H3/b7-5?,8-6?,14-9+
InChIKeyZHHBAFBTJBGXRT-SWYAHMKVSA-N
MW203.21 g/mol
LogP3.63
Rot. Bonds

About 5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine

5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine (PubChem CID 154499412) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine.

Molecular Properties

Compound Name5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine
PubChem CID154499412
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine
SMILESCC1=C/N=C(/C(F)(F)F)CCC(C)=C1
InChIInChI=1S/C10H12F3N/c1-7-3-4-9(10(11,12)13)14-6-8(2)5-7/h5-6H,3-4H2,1-2H3/b7-5?,8-6?,14-9+
InChIKeyZHHBAFBTJBGXRT-SWYAHMKVSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine?
The IUPAC name of 5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine (CID 154499412) is 5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine.
What is the SMILES notation for 5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine?
The canonical SMILES for 5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine is CC1=C/N=C(/C(F)(F)F)CCC(C)=C1.
What is the InChIKey of 5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine?
The InChIKey is ZHHBAFBTJBGXRT-SWYAHMKVSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7-3-4-9(10(11,12)13)14-6-8(2)5-7/h5-6H,3-4H2,1-2H3/b7-5?,8-6?,14-9+.
What are the key properties of 5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine?
5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine has a molecular weight of 203.21 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(trifluoromethyl)-3,4-dihydroazocine is sourced from PubChem (CID 154499412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).