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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane

C19H22F14O4 — CID 59010326

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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane
SMILESCC1CCC(OCCCOC2(C)CCC(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C19H22F14O4/c1-10-4-7-13(36-10,15(21,18(28,29)30)19(31,32)33)35-9-3-8-34-12(2)6-5-11(37-12)14(20,16(22,23)24)17(25,26)27/h10-11H,3-9H2,1-2H3
InChIKeyRTRAEMDPRBLSAP-UHFFFAOYSA-N
MW580.35 g/mol
LogP6.87
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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane

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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane (PubChem CID 59010326) has the molecular formula C19H22F14O4 and a molecular weight of 580.35 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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane.

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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane
PubChem CID59010326
Molecular FormulaC19H22F14O4
Molecular Weight580.35 g/mol
Exact Mass580.13
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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane
SMILESCC1CCC(OCCCOC2(C)CCC(C(F)(C(F)(F)F)C(F)(F)F)O2)(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C19H22F14O4/c1-10-4-7-13(36-10,15(21,18(28,29)30)19(31,32)33)35-9-3-8-34-12(2)6-5-11(37-12)14(20,16(22,23)24)17(25,26)27/h10-11H,3-9H2,1-2H3
InChIKeyRTRAEMDPRBLSAP-UHFFFAOYSA-N
XLogP6.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.35
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane?
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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane (CID 59010326) 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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane.
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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane?
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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane is CC1CCC(OCCCOC2(C)CCC(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-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane?
The InChIKey is RTRAEMDPRBLSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F14O4/c1-10-4-7-13(36-10,15(21,18(28,29)30)19(31,32)33)35-9-3-8-34-12(2)6-5-11(37-12)14(20,16(22,23)24)17(25,26)27/h10-11H,3-9H2,1-2H3.
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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane?
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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane has a molecular weight of 580.35 g/mol, XLogP of 6.87, 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-methyloxolan-2-yl]oxypropoxy]-5-methyloxolane is sourced from PubChem (CID 59010326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).