(2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine

C16H18F3N — CID 163862604

IUPAC(2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine
SMILESCC1=N/C=C/CCC\C=C\1C1=CCCC(C(F)(F)F)=C1
InChIInChI=1S/C16H18F3N/c1-12-15(9-4-2-3-5-10-20-12)13-7-6-8-14(11-13)16(17,18)19/h5,7,9-11H,2-4,6,8H2,1H3/b10-5+,15-9-,20-12-
InChIKeyPDWFQPAWOGUXDJ-LOLGBYCLSA-N
MW281.32 g/mol
LogP5.28
Rot. Bonds1

About (2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine

(2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine (PubChem CID 163862604) has the molecular formula C16H18F3N and a molecular weight of 281.32 g/mol. Its IUPAC name is (2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine.

Molecular Properties

Compound Name(2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine
PubChem CID163862604
Molecular FormulaC16H18F3N
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name(2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine
SMILESCC1=N/C=C/CCC\C=C\1C1=CCCC(C(F)(F)F)=C1
InChIInChI=1S/C16H18F3N/c1-12-15(9-4-2-3-5-10-20-12)13-7-6-8-14(11-13)16(17,18)19/h5,7,9-11H,2-4,6,8H2,1H3/b10-5+,15-9-,20-12-
InChIKeyPDWFQPAWOGUXDJ-LOLGBYCLSA-N
XLogP5.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.32
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-Difluoro-1-benzazepine
CID 70291399
5-fluoro-7H-indole
CID 97295149
2-[(2Z,4Z)-3-fluorohexa-2,4-dien-2-yl]-3,8-dimethylideneazecine
CID 130341015
(Z)-N-[(1Z)-buta-1,3-dienyl]-3,6,7-trimethylidene-9-(4,4,5,5-tetrafluoro-2-methylcyclohexen-1-yl)non-8-en-2-imine
CID 139563424
ethane;5-ethyl-2-(trifluoromethyl)-3H-azepine
CID 143347099
ethane;5-methyl-2-(trifluoromethyl)-3H-azepine
CID 143347215
2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 144248551
ethane;(Z)-7,7,7-trifluoro-N-[(Z)-prop-1-enyl]hept-2-en-4-imine
CID 144801043
1-(3-Fluoroprop-1-en-2-yl)cyclohexa-1,3-diene;2-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine
CID 144809524
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207
(3E,5E)-3-ethenyl-N-(2-methylprop-1-enyl)-6-(trifluoromethyl)nona-3,5-dien-2-imine
CID 156184674
(E)-1-[[(3E,5E)-3-ethenyl-6-(trifluoromethyl)nona-3,5-dien-2-ylidene]amino]prop-1-en-2-amine
CID 156184677

Frequently Asked Questions

What is the IUPAC name of (2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine?
The IUPAC name of (2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine (CID 163862604) is (2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine.
What is the SMILES notation for (2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine?
The canonical SMILES for (2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine is CC1=N/C=C/CCC\C=C\1C1=CCCC(C(F)(F)F)=C1.
What is the InChIKey of (2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine?
The InChIKey is PDWFQPAWOGUXDJ-LOLGBYCLSA-N. The full InChI is InChI=1S/C16H18F3N/c1-12-15(9-4-2-3-5-10-20-12)13-7-6-8-14(11-13)16(17,18)19/h5,7,9-11H,2-4,6,8H2,1H3/b10-5+,15-9-,20-12-.
What are the key properties of (2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine?
(2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine has a molecular weight of 281.32 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,7E)-9-methyl-8-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-5,6-dihydro-4H-azonine is sourced from PubChem (CID 163862604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).