(2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine

C9H10F3N — CID 171493309

IUPAC(2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine
SMILESCC1=C/CC/C=C(C(F)(F)F)/C=N\1
InChIInChI=1S/C9H10F3N/c1-7-4-2-3-5-8(6-13-7)9(10,11)12/h4-6H,2-3H2,1H3/b7-4-,8-5+,13-6-
InChIKeyBZIDJSKAXLVNJL-BUHMKNLMSA-N
MW189.18 g/mol
LogP3.24
Rot. Bonds

About (2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine

(2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine (PubChem CID 171493309) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is (2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine.

Molecular Properties

Compound Name(2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine
PubChem CID171493309
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name(2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine
SMILESCC1=C/CC/C=C(C(F)(F)F)/C=N\1
InChIInChI=1S/C9H10F3N/c1-7-4-2-3-5-8(6-13-7)9(10,11)12/h4-6H,2-3H2,1H3/b7-4-,8-5+,13-6-
InChIKeyBZIDJSKAXLVNJL-BUHMKNLMSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine with MolForge

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Related Compounds

2-methylidene-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-imine
CID 87065362
(Z)-2-ethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)but-2-en-1-imine
CID 89210806
(7Z)-8-propan-2-yl-2-(trifluoromethyl)-5,6-dihydro-4H-azonine
CID 90882963
[5-Methyl-2-(trifluoromethyl)-4,5-dihydroazocin-7-yl]methanamine
CID 90949467
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]prop-2-en-1-imine
CID 117825719
3-ethyl-2-methyl-5-(trifluoromethyl)-4H-azepine
CID 123620995
N-pent-2-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 123975815
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334
(2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine
CID 129276493
(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine
CID 134374866
(6E)-2-methyl-7-(trifluoromethyl)-2,5-dihydroazocine
CID 137467897

Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine?
The IUPAC name of (2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine (CID 171493309) is (2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine.
What is the SMILES notation for (2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine?
The canonical SMILES for (2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine is CC1=C/CC/C=C(C(F)(F)F)/C=N\1.
What is the InChIKey of (2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine?
The InChIKey is BZIDJSKAXLVNJL-BUHMKNLMSA-N. The full InChI is InChI=1S/C9H10F3N/c1-7-4-2-3-5-8(6-13-7)9(10,11)12/h4-6H,2-3H2,1H3/b7-4-,8-5+,13-6-.
What are the key properties of (2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine?
(2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine has a molecular weight of 189.18 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine is sourced from PubChem (CID 171493309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).