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

C21H26F14O4 — CID 59010340

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane
SMILESCC1CCCC(OCCCOC2(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/C21H26F14O4/c1-12-6-3-9-15(38-12,17(23,20(30,31)32)21(33,34)35)37-11-5-10-36-14(2)8-4-7-13(39-14)16(22,18(24,25)26)19(27,28)29/h12-13H,3-11H2,1-2H3
InChIKeyDWVLCLZAHSORIG-UHFFFAOYSA-N
MW608.41 g/mol
LogP7.65
Rot. Bonds8

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

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane (PubChem CID 59010340) has the molecular formula C21H26F14O4 and a molecular weight of 608.41 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane
PubChem CID59010340
Molecular FormulaC21H26F14O4
Molecular Weight608.41 g/mol
Exact Mass608.16
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane
SMILESCC1CCCC(OCCCOC2(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/C21H26F14O4/c1-12-6-3-9-15(38-12,17(23,20(30,31)32)21(33,34)35)37-11-5-10-36-14(2)8-4-7-13(39-14)16(22,18(24,25)26)19(27,28)29/h12-13H,3-11H2,1-2H3
InChIKeyDWVLCLZAHSORIG-UHFFFAOYSA-N
XLogP7.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.41
LogP ≤ 57.65
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-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane with MolForge

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Related Compounds

2-[2-Ethyl-1,1,1-trifluoro-6-(oxan-2-yloxy)heptan-2-yl]oxyoxane
CID 23405360
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
2-Ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane
CID 59010313
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methoxy-6-methyloxane
CID 59010323
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
2-Ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5,6-dimethyl-4-(trifluoromethyl)oxane
CID 59010328
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-methyloxolan-2-yl]oxypropoxy]-2-methyloxane
CID 59010329
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methoxy-6-methyl-4-(1,1,2,2,2-pentafluoroethyl)oxane
CID 59010333
2-Ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane
CID 59010335
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane
CID 59010338
2,4-Bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane
CID 59010341
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane
CID 59010342

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane (CID 59010340) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane is CC1CCCC(OCCCOC2(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-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane?
The InChIKey is DWVLCLZAHSORIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F14O4/c1-12-6-3-9-15(38-12,17(23,20(30,31)32)21(33,34)35)37-11-5-10-36-14(2)8-4-7-13(39-14)16(22,18(24,25)26)19(27,28)29/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane has a molecular weight of 608.41 g/mol, XLogP of 7.65, 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-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane is sourced from PubChem (CID 59010340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).