2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane

C20H24F14O4 — CID 59010324

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane
SMILESCC1CCCC(OCCOC2(C)CCCC(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C20H24F14O4/c1-11-5-3-8-14(37-11,16(22,19(29,30)31)20(32,33)34)36-10-9-35-13(2)7-4-6-12(38-13)15(21,17(23,24)25)18(26,27)28/h11-12H,3-10H2,1-2H3
InChIKeyYNPVVXSSOWKWTF-UHFFFAOYSA-N
MW594.38 g/mol
LogP7.26
Rot. Bonds7

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane (PubChem CID 59010324) has the molecular formula C20H24F14O4 and a molecular weight of 594.38 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane
PubChem CID59010324
Molecular FormulaC20H24F14O4
Molecular Weight594.38 g/mol
Exact Mass594.15
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane
SMILESCC1CCCC(OCCOC2(C)CCCC(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C20H24F14O4/c1-11-5-3-8-14(37-11,16(22,19(29,30)31)20(32,33)34)36-10-9-35-13(2)7-4-6-12(38-13)15(21,17(23,24)25)18(26,27)28/h11-12H,3-10H2,1-2H3
InChIKeyYNPVVXSSOWKWTF-UHFFFAOYSA-N
XLogP7.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.38
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane (CID 59010324) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane is CC1CCCC(OCCOC2(C)CCCC(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane?
The InChIKey is YNPVVXSSOWKWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F14O4/c1-11-5-3-8-14(37-11,16(22,19(29,30)31)20(32,33)34)36-10-9-35-13(2)7-4-6-12(38-13)15(21,17(23,24)25)18(26,27)28/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane has a molecular weight of 594.38 g/mol, XLogP of 7.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane is sourced from PubChem (CID 59010324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).