2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane

C14H18F10O3 — CID 90824693

IUPAC2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane
SMILESC=CCOC(C(F)(F)F)C(F)(F)C1COCC(CF)O1.CC(F)C(F)(F)F
InChIInChI=1S/C11H14F6O3.C3H4F4/c1-2-3-19-9(11(15,16)17)10(13,14)8-6-18-5-7(4-12)20-8;1-2(4)3(5,6)7/h2,7-9H,1,3-6H2;2H,1H3
InChIKeyXTQAIUPTCKIQMB-UHFFFAOYSA-N
MW424.28 g/mol
LogP4.42
Rot. Bonds6

About 2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane

2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane (PubChem CID 90824693) has the molecular formula C14H18F10O3 and a molecular weight of 424.28 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane.

Molecular Properties

Compound Name2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane
PubChem CID90824693
Molecular FormulaC14H18F10O3
Molecular Weight424.28 g/mol
Exact Mass424.11
IUPAC Name2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane
SMILESC=CCOC(C(F)(F)F)C(F)(F)C1COCC(CF)O1.CC(F)C(F)(F)F
InChIInChI=1S/C11H14F6O3.C3H4F4/c1-2-3-19-9(11(15,16)17)10(13,14)8-6-18-5-7(4-12)20-8;1-2(4)3(5,6)7/h2,7-9H,1,3-6H2;2H,1H3
InChIKeyXTQAIUPTCKIQMB-UHFFFAOYSA-N
XLogP4.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.28
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane?
The IUPAC name of 2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane (CID 90824693) is 2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane.
What is the SMILES notation for 2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane?
The canonical SMILES for 2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane is C=CCOC(C(F)(F)F)C(F)(F)C1COCC(CF)O1.CC(F)C(F)(F)F.
What is the InChIKey of 2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane?
The InChIKey is XTQAIUPTCKIQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6O3.C3H4F4/c1-2-3-19-9(11(15,16)17)10(13,14)8-6-18-5-7(4-12)20-8;1-2(4)3(5,6)7/h2,7-9H,1,3-6H2;2H,1H3.
What are the key properties of 2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane?
2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane has a molecular weight of 424.28 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane is sourced from PubChem (CID 90824693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).