1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane

C14H24F6O2 — CID 126695567

IUPAC1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane
SMILESCC(C)(C)OC(F)(F)C(C)(C)OC(F)(F)C(F)(F)C(C)(C)C
InChIInChI=1S/C14H24F6O2/c1-9(2,3)12(15,16)14(19,20)22-11(7,8)13(17,18)21-10(4,5)6/h1-8H3
InChIKeyMSMFIGRRVAFXHS-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.46
Rot. Bonds5

About 1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane

1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane (PubChem CID 126695567) has the molecular formula C14H24F6O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane.

Molecular Properties

Compound Name1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane
PubChem CID126695567
Molecular FormulaC14H24F6O2
Molecular Weight338.33 g/mol
Exact Mass338.17
IUPAC Name1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane
SMILESCC(C)(C)OC(F)(F)C(C)(C)OC(F)(F)C(F)(F)C(C)(C)C
InChIInChI=1S/C14H24F6O2/c1-9(2,3)12(15,16)14(19,20)22-11(7,8)13(17,18)21-10(4,5)6/h1-8H3
InChIKeyMSMFIGRRVAFXHS-UHFFFAOYSA-N
XLogP5.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane?
The IUPAC name of 1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane (CID 126695567) is 1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane.
What is the SMILES notation for 1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane?
The canonical SMILES for 1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane is CC(C)(C)OC(F)(F)C(C)(C)OC(F)(F)C(F)(F)C(C)(C)C.
What is the InChIKey of 1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane?
The InChIKey is MSMFIGRRVAFXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F6O2/c1-9(2,3)12(15,16)14(19,20)22-11(7,8)13(17,18)21-10(4,5)6/h1-8H3.
What are the key properties of 1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane?
1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane has a molecular weight of 338.33 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-difluoro-2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-1,1,2,2-tetrafluoro-3,3-dimethylbutane is sourced from PubChem (CID 126695567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).