6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane

C21H23F17O4 — CID 59010312

IUPAC6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane
SMILESCC1OC(OCCCOC2(C)CCCC(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/C21H23F17O4/c1-10-11(16(23,24)25)9-14(41-10,17(26,20(33,34)35)21(36,37)38)40-8-4-7-39-13(2)6-3-5-12(42-13)15(22,18(27,28)29)19(30,31)32/h10-12H,3-9H2,1-2H3
InChIKeyAOTMINLMTNRSDS-UHFFFAOYSA-N
MW662.38 g/mol
LogP8.04
Rot. Bonds8

About 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane

6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane (PubChem CID 59010312) has the molecular formula C21H23F17O4 and a molecular weight of 662.38 g/mol. Its IUPAC name is 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane.

Molecular Properties

Compound Name6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane
PubChem CID59010312
Molecular FormulaC21H23F17O4
Molecular Weight662.38 g/mol
Exact Mass662.13
IUPAC Name6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane
SMILESCC1OC(OCCCOC2(C)CCCC(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/C21H23F17O4/c1-10-11(16(23,24)25)9-14(41-10,17(26,20(33,34)35)21(36,37)38)40-8-4-7-39-13(2)6-3-5-12(42-13)15(22,18(27,28)29)19(30,31)32/h10-12H,3-9H2,1-2H3
InChIKeyAOTMINLMTNRSDS-UHFFFAOYSA-N
XLogP8.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.38
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane?
The IUPAC name of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane (CID 59010312) is 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane.
What is the SMILES notation for 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane?
The canonical SMILES for 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane is CC1OC(OCCCOC2(C)CCCC(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 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane?
The InChIKey is AOTMINLMTNRSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F17O4/c1-10-11(16(23,24)25)9-14(41-10,17(26,20(33,34)35)21(36,37)38)40-8-4-7-39-13(2)6-3-5-12(42-13)15(22,18(27,28)29)19(30,31)32/h10-12H,3-9H2,1-2H3.
What are the key properties of 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane?
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane has a molecular weight of 662.38 g/mol, XLogP of 8.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyl-4-(trifluoromethyl)oxolan-2-yl]oxypropoxy]-2-methyloxane is sourced from PubChem (CID 59010312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).