1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane

C11H11F9O2 — CID 140517608

IUPAC1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane
SMILESC=CC1C(F)C(F)C(F)C(OCC(F)(F)OC(F)(F)F)C1F
InChIInChI=1S/C11H11F9O2/c1-2-4-5(12)7(14)8(15)9(6(4)13)21-3-10(16,17)22-11(18,19)20/h2,4-9H,1,3H2
InChIKeyUHRZVVXFBHKBLA-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.67
Rot. Bonds5

About 1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane

1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane (PubChem CID 140517608) has the molecular formula C11H11F9O2 and a molecular weight of 346.19 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane
PubChem CID140517608
Molecular FormulaC11H11F9O2
Molecular Weight346.19 g/mol
Exact Mass346.06
IUPAC Name1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane
SMILESC=CC1C(F)C(F)C(F)C(OCC(F)(F)OC(F)(F)F)C1F
InChIInChI=1S/C11H11F9O2/c1-2-4-5(12)7(14)8(15)9(6(4)13)21-3-10(16,17)22-11(18,19)20/h2,4-9H,1,3H2
InChIKeyUHRZVVXFBHKBLA-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethenyl-2-fluoro-1-(trifluoromethoxy)cyclohexane
CID 68264061
5-Ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane
CID 89312058
1-Ethenyl-3-[2-[2-[2-[2-(3-ethenyl-2,4,5,6-tetrafluorocyclohexyl)oxy-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethoxy]-2,4,5,6-tetrafluorocyclohexane
CID 140474811
1-Ethenyl-3-[8-(3-ethenyl-2,4,5,6-tetrafluorocyclohexyl)oxy-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy]-2,4,5,6-tetrafluorocyclohexane
CID 140474813
1-(3,3-Difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane
CID 140517607
1-Ethenyl-3-[6-(3-ethenyl-2,4,5,6-tetrafluorocyclohexyl)oxy-2,2,3,3,4,4,5,5-octafluorohexoxy]-2,4,5,6-tetrafluorocyclohexane
CID 145787597

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane?
The IUPAC name of 1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane (CID 140517608) is 1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane.
What is the SMILES notation for 1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane?
The canonical SMILES for 1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane is C=CC1C(F)C(F)C(F)C(OCC(F)(F)OC(F)(F)F)C1F.
What is the InChIKey of 1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane?
The InChIKey is UHRZVVXFBHKBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F9O2/c1-2-4-5(12)7(14)8(15)9(6(4)13)21-3-10(16,17)22-11(18,19)20/h2,4-9H,1,3H2.
What are the key properties of 1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane?
1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane has a molecular weight of 346.19 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane is sourced from PubChem (CID 140517608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).