2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene

C13H11F9O2 — CID 123684369

IUPAC2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC(F)=C(C(C)F)C(F)(F)OC1=CC(F)=C(OC(F)(F)F)C(F)C1
InChIInChI=1S/C13H11F9O2/c1-5(14)10(6(2)15)12(18,19)23-7-3-8(16)11(9(17)4-7)24-13(20,21)22/h3,5,9H,4H2,1-2H3
InChIKeyUXDCTHLUQLZOIG-UHFFFAOYSA-N
MW370.21 g/mol
LogP5.54
Rot. Bonds5

About 2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene

2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 123684369) has the molecular formula C13H11F9O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID123684369
Molecular FormulaC13H11F9O2
Molecular Weight370.21 g/mol
Exact Mass370.06
IUPAC Name2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESCC(F)=C(C(C)F)C(F)(F)OC1=CC(F)=C(OC(F)(F)F)C(F)C1
InChIInChI=1S/C13H11F9O2/c1-5(14)10(6(2)15)12(18,19)23-7-3-8(16)11(9(17)4-7)24-13(20,21)22/h3,5,9H,4H2,1-2H3
InChIKeyUXDCTHLUQLZOIG-UHFFFAOYSA-N
XLogP5.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.21
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene 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

2-methyl-2,4,6-tris(trifluoromethyl)-2H-pyran
CID 3013867
1-Methyl-3-(trifluoromethoxy)cyclohexa-1,3-diene
CID 17952051
2-(1,1,2,2-Tetrafluoroethoxy)cyclohexa-1,3-diene
CID 18427019
2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
Carbanide;1,3-dimethyl-5-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
CID 59592186
Carbanide;2-fluoro-1,5-dimethyl-3-(trifluoromethoxy)benzene-4-ide;tungsten(2+)
CID 59592243
Carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)
CID 59592265
Carbanide;2,4-dimethyl-1-(trifluoromethoxy)benzene-5-ide;tungsten(2+)
CID 59592335
Carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
CID 59592343
(5E)-6-ethylidene-5-[(Z)-1-methoxybut-2-enylidene]-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 71122739
2-(3-Methylcyclohexa-1,3-dien-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 71233033
1-Ethoxy-4,5-difluoro-6-methylidenecyclohexa-1,3-diene
CID 89020439

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene (CID 123684369) is 2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene is CC(F)=C(C(C)F)C(F)(F)OC1=CC(F)=C(OC(F)(F)F)C(F)C1.
What is the InChIKey of 2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is UXDCTHLUQLZOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F9O2/c1-5(14)10(6(2)15)12(18,19)23-7-3-8(16)11(9(17)4-7)24-13(20,21)22/h3,5,9H,4H2,1-2H3.
What are the key properties of 2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene?
2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 370.21 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 123684369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).