1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane

C15H21F11O3 — CID 118026664

IUPAC1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane
SMILESCOC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(F)(F)F
InChIInChI=1S/C15H21F11O3/c1-8(2,27-7)11(16,17)14(23,24)28-9(3,4)12(18,19)15(25,26)29-10(5,6)13(20,21)22/h1-7H3
InChIKeyYWEBXTHKRNDYOY-UHFFFAOYSA-N
MW458.31 g/mol
LogP6.02
Rot. Bonds9

About 1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane

1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane (PubChem CID 118026664) has the molecular formula C15H21F11O3 and a molecular weight of 458.31 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane
PubChem CID118026664
Molecular FormulaC15H21F11O3
Molecular Weight458.31 g/mol
Exact Mass458.13
IUPAC Name1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane
SMILESCOC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(F)(F)F
InChIInChI=1S/C15H21F11O3/c1-8(2,27-7)11(16,17)14(23,24)28-9(3,4)12(18,19)15(25,26)29-10(5,6)13(20,21)22/h1-7H3
InChIKeyYWEBXTHKRNDYOY-UHFFFAOYSA-N
XLogP6.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.31
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane (CID 118026664) is 1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane is COC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(F)(F)C(F)(F)OC(C)(C)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane?
The InChIKey is YWEBXTHKRNDYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F11O3/c1-8(2,27-7)11(16,17)14(23,24)28-9(3,4)12(18,19)15(25,26)29-10(5,6)13(20,21)22/h1-7H3.
What are the key properties of 1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane?
1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane has a molecular weight of 458.31 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3-methoxy-3-methyl-1-[3,3,4,4-tetrafluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-2-yl]oxybutane is sourced from PubChem (CID 118026664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).