(4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine

C11H14F3N — CID 129171155

IUPAC(4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine
SMILESCC\1CN=CCC/C=C\C(=C1)\C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-9-7-10(11(12,13)14)5-3-2-4-6-15-8-9/h3,5-7,9H,2,4,8H2,1H3/b5-3-,10-7+,15-6?
InChIKeyRIWXOIGNHDHCNF-HVMYHADTSA-N
MW217.23 g/mol
LogP2.30
Rot. Bonds

About (4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine

(4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine (PubChem CID 129171155) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine.

Molecular Properties

Compound Name(4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine
PubChem CID129171155
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine
SMILESCC\1CN=CCC/C=C\C(=C1)\C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-9-7-10(11(12,13)14)5-3-2-4-6-15-8-9/h3,5-7,9H,2,4,8H2,1H3/b5-3-,10-7+,15-6?
InChIKeyRIWXOIGNHDHCNF-HVMYHADTSA-N
XLogP2.30
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity287

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine?
The IUPAC name of (4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine (CID 129171155) is (4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine.
What is the SMILES notation for (4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine?
The canonical SMILES for (4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine is CC\1CN=CCC/C=C\C(=C1)\C(F)(F)F.
What is the InChIKey of (4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine?
The InChIKey is RIWXOIGNHDHCNF-HVMYHADTSA-N. The full InChI is InChI=1S/C11H14F3N/c1-9-7-10(11(12,13)14)5-3-2-4-6-15-8-9/h3,5-7,9H,2,4,8H2,1H3/b5-3-,10-7+,15-6?.
What are the key properties of (4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine?
(4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine has a molecular weight of 217.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-3-methyl-5-(trifluoromethyl)-2,3,8,9-tetrahydroazecine is sourced from PubChem (CID 129171155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).