1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene

C11H14F4O2 — CID 143346098

IUPAC1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene
SMILESCCC1=CC(OC(F)(F)C(F)(F)OC)=CCC1
InChIInChI=1S/C11H14F4O2/c1-3-8-5-4-6-9(7-8)17-11(14,15)10(12,13)16-2/h6-7H,3-5H2,1-2H3
InChIKeyVLADYLKNFCWPEP-UHFFFAOYSA-N
MW254.22 g/mol
LogP3.85
Rot. Bonds5

About 1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene

1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene (PubChem CID 143346098) has the molecular formula C11H14F4O2 and a molecular weight of 254.22 g/mol. Its IUPAC name is 1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene
PubChem CID143346098
Molecular FormulaC11H14F4O2
Molecular Weight254.22 g/mol
Exact Mass254.09
IUPAC Name1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene
SMILESCCC1=CC(OC(F)(F)C(F)(F)OC)=CCC1
InChIInChI=1S/C11H14F4O2/c1-3-8-5-4-6-9(7-8)17-11(14,15)10(12,13)16-2/h6-7H,3-5H2,1-2H3
InChIKeyVLADYLKNFCWPEP-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-(trifluoromethoxy)cyclohexa-1,3-diene
CID 17952051
Carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)
CID 59592265
2,6-Difluoro-4-[1,1,3-trifluoro-2-(1-fluoroethyl)but-2-enoxy]-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123684369
4-(Difluoromethoxy)-5-methoxy-1-methylcyclohepta-1,3,5-triene
CID 142904553
3-(Difluoromethoxy)-1-ethylcyclohexa-1,3-diene
CID 143273290
4-Ethyl-1-fluoro-2-methoxycyclohexa-1,3-diene
CID 143342860
Ethane;2-methoxy-1-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 143584862
3-(Difluoromethoxy)-1-methylcyclohexa-1,3-diene
CID 145513405
2-(Difluoromethoxy)-1-methylcyclohexa-1,3-diene
CID 162613146
2-Propan-2-yl-3-[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propoxy]cyclohexa-1,3-diene
CID 163524903
4-Fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene
CID 169135542
3-Methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 173075287

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene (CID 143346098) is 1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene is CCC1=CC(OC(F)(F)C(F)(F)OC)=CCC1.
What is the InChIKey of 1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene?
The InChIKey is VLADYLKNFCWPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4O2/c1-3-8-5-4-6-9(7-8)17-11(14,15)10(12,13)16-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene?
1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene has a molecular weight of 254.22 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 143346098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).