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

C10H12F3N — CID 144787939

IUPAC(6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine
SMILESFC(F)(F)C1=C/C=N\CCCC\C=C\1
InChIInChI=1S/C10H12F3N/c11-10(12,13)9-5-3-1-2-4-7-14-8-6-9/h3,5-6,8H,1-2,4,7H2/b5-3+,9-6+,14-8-
InChIKeyJCCWNOBXFVPORE-FGEMICNDSA-N
MW203.21 g/mol
LogP3.29
Rot. Bonds

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

(6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine (PubChem CID 144787939) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is (6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine.

Molecular Properties

Compound Name(6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine
PubChem CID144787939
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name(6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine
SMILESFC(F)(F)C1=C/C=N\CCCC\C=C\1
InChIInChI=1S/C10H12F3N/c11-10(12,13)9-5-3-1-2-4-7-14-8-6-9/h3,5-6,8H,1-2,4,7H2/b5-3+,9-6+,14-8-
InChIKeyJCCWNOBXFVPORE-FGEMICNDSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine?
The IUPAC name of (6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine (CID 144787939) is (6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine.
What is the SMILES notation for (6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine?
The canonical SMILES for (6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine is FC(F)(F)C1=C/C=N\CCCC\C=C\1.
What is the InChIKey of (6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine?
The InChIKey is JCCWNOBXFVPORE-FGEMICNDSA-N. The full InChI is InChI=1S/C10H12F3N/c11-10(12,13)9-5-3-1-2-4-7-14-8-6-9/h3,5-6,8H,1-2,4,7H2/b5-3+,9-6+,14-8-.
What are the key properties of (6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine?
(6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine has a molecular weight of 203.21 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine is sourced from PubChem (CID 144787939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).