2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane

C21H20F20O4 — CID 59010321

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane
SMILESCC1OC(OCCCOC2(C)CC(C(F)(F)F)C(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)CC1C(F)(F)F
InChIInChI=1S/C21H20F20O4/c1-8-9(15(23,24)25)7-13(44-8,17(29,20(36,37)38)21(39,40)41)43-5-3-4-42-12(2)6-10(16(26,27)28)11(45-12)14(22,18(30,31)32)19(33,34)35/h8-11H,3-7H2,1-2H3
InChIKeyUDHPMBXXYLAJMF-UHFFFAOYSA-N
MW716.35 g/mol
LogP8.44
Rot. Bonds8

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane (PubChem CID 59010321) has the molecular formula C21H20F20O4 and a molecular weight of 716.35 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane
PubChem CID59010321
Molecular FormulaC21H20F20O4
Molecular Weight716.35 g/mol
Exact Mass716.10
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane
SMILESCC1OC(OCCCOC2(C)CC(C(F)(F)F)C(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)CC1C(F)(F)F
InChIInChI=1S/C21H20F20O4/c1-8-9(15(23,24)25)7-13(44-8,17(29,20(36,37)38)21(39,40)41)43-5-3-4-42-12(2)6-10(16(26,27)28)11(45-12)14(22,18(30,31)32)19(33,34)35/h8-11H,3-7H2,1-2H3
InChIKeyUDHPMBXXYLAJMF-UHFFFAOYSA-N
XLogP8.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.35
LogP ≤ 58.44
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-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane 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-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane (CID 59010321) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane is CC1OC(OCCCOC2(C)CC(C(F)(F)F)C(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)CC1C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane?
The InChIKey is UDHPMBXXYLAJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F20O4/c1-8-9(15(23,24)25)7-13(44-8,17(29,20(36,37)38)21(39,40)41)43-5-3-4-42-12(2)6-10(16(26,27)28)11(45-12)14(22,18(30,31)32)19(33,34)35/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane has a molecular weight of 716.35 g/mol, XLogP of 8.44, 8 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-[3-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-5-methyl-4-(trifluoromethyl)oxolane is sourced from PubChem (CID 59010321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).