(2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine

C10H12F3N — CID 135292598

IUPAC(2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine
SMILESC/C1=C/N=C(C(F)(F)F)\C=C/CCC1
InChIInChI=1S/C10H12F3N/c1-8-5-3-2-4-6-9(14-7-8)10(11,12)13/h4,6-7H,2-3,5H2,1H3/b6-4-,8-7-,14-9+
InChIKeyJTJPCUWAVUOIPD-AGHMALIZSA-N
MW203.21 g/mol
LogP3.63
Rot. Bonds

About (2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine

(2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine (PubChem CID 135292598) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is (2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine.

Molecular Properties

Compound Name(2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine
PubChem CID135292598
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name(2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine
SMILESC/C1=C/N=C(C(F)(F)F)\C=C/CCC1
InChIInChI=1S/C10H12F3N/c1-8-5-3-2-4-6-9(14-7-8)10(11,12)13/h4,6-7H,2-3,5H2,1H3/b6-4-,8-7-,14-9+
InChIKeyJTJPCUWAVUOIPD-AGHMALIZSA-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 (2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine?
The IUPAC name of (2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine (CID 135292598) is (2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine.
What is the SMILES notation for (2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine?
The canonical SMILES for (2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine is C/C1=C/N=C(C(F)(F)F)\C=C/CCC1.
What is the InChIKey of (2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine?
The InChIKey is JTJPCUWAVUOIPD-AGHMALIZSA-N. The full InChI is InChI=1S/C10H12F3N/c1-8-5-3-2-4-6-9(14-7-8)10(11,12)13/h4,6-7H,2-3,5H2,1H3/b6-4-,8-7-,14-9+.
What are the key properties of (2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine?
(2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine 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 (2Z,7Z)-3-methyl-9-(trifluoromethyl)-5,6-dihydro-4H-azonine is sourced from PubChem (CID 135292598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).