1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane

C11H12F6O — CID 140517607

IUPAC1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane
SMILESC=CC1C(F)C(F)C(F)C(OCC=C(F)F)C1F
InChIInChI=1S/C11H12F6O/c1-2-5-7(14)9(16)10(17)11(8(5)15)18-4-3-6(12)13/h2-3,5,7-11H,1,4H2
InChIKeyXYRDAVSKBWASRQ-UHFFFAOYSA-N
MW274.20 g/mol
LogP3.32
Rot. Bonds4

About 1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane

1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane (PubChem CID 140517607) has the molecular formula C11H12F6O and a molecular weight of 274.20 g/mol. Its IUPAC name is 1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane.

Molecular Properties

Compound Name1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane
PubChem CID140517607
Molecular FormulaC11H12F6O
Molecular Weight274.20 g/mol
Exact Mass274.08
IUPAC Name1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane
SMILESC=CC1C(F)C(F)C(F)C(OCC=C(F)F)C1F
InChIInChI=1S/C11H12F6O/c1-2-5-7(14)9(16)10(17)11(8(5)15)18-4-3-6(12)13/h2-3,5,7-11H,1,4H2
InChIKeyXYRDAVSKBWASRQ-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2,2-Trifluoro-1-prop-2-enoxyethyl)cyclohexene
CID 86077588
4-Ethenyl-2-fluoro-1-(trifluoromethoxy)cyclohexane
CID 68264061
5-Ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane
CID 89312058
1-[2,2-Difluoro-2-(trifluoromethoxy)ethoxy]-3-ethenyl-2,4,5,6-tetrafluorocyclohexane
CID 140517608
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
1-Prop-2-enoxy-1-(1,2,2-trifluoroethenyl)cyclohexane
CID 101056705

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane?
The IUPAC name of 1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane (CID 140517607) is 1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane.
What is the SMILES notation for 1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane?
The canonical SMILES for 1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane is C=CC1C(F)C(F)C(F)C(OCC=C(F)F)C1F.
What is the InChIKey of 1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane?
The InChIKey is XYRDAVSKBWASRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6O/c1-2-5-7(14)9(16)10(17)11(8(5)15)18-4-3-6(12)13/h2-3,5,7-11H,1,4H2.
What are the key properties of 1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane?
1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane has a molecular weight of 274.20 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroprop-2-enoxy)-3-ethenyl-2,4,5,6-tetrafluorocyclohexane is sourced from PubChem (CID 140517607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).