2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane

C15H22F10O2 — CID 88557571

IUPAC2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane
SMILESCCC(C)(OC(F)(F)C(F)(C(F)(F)F)C(C)(CC)OC)C(C)(F)C(F)(F)F
InChIInChI=1S/C15H22F10O2/c1-7-9(3,11(5,16)13(18,19)20)27-15(24,25)12(17,14(21,22)23)10(4,8-2)26-6/h7-8H2,1-6H3
InChIKeyJZAPJQPDOFPTIL-UHFFFAOYSA-N
MW424.32 g/mol
LogP6.14
Rot. Bonds8

About 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane

2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane (PubChem CID 88557571) has the molecular formula C15H22F10O2 and a molecular weight of 424.32 g/mol. Its IUPAC name is 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane.

Molecular Properties

Compound Name2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane
PubChem CID88557571
Molecular FormulaC15H22F10O2
Molecular Weight424.32 g/mol
Exact Mass424.15
IUPAC Name2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane
SMILESCCC(C)(OC(F)(F)C(F)(C(F)(F)F)C(C)(CC)OC)C(C)(F)C(F)(F)F
InChIInChI=1S/C15H22F10O2/c1-7-9(3,11(5,16)13(18,19)20)27-15(24,25)12(17,14(21,22)23)10(4,8-2)26-6/h7-8H2,1-6H3
InChIKeyJZAPJQPDOFPTIL-UHFFFAOYSA-N
XLogP6.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.32
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane?
The IUPAC name of 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane (CID 88557571) is 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane.
What is the SMILES notation for 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane?
The canonical SMILES for 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane is CCC(C)(OC(F)(F)C(F)(C(F)(F)F)C(C)(CC)OC)C(C)(F)C(F)(F)F.
What is the InChIKey of 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane?
The InChIKey is JZAPJQPDOFPTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F10O2/c1-7-9(3,11(5,16)13(18,19)20)27-15(24,25)12(17,14(21,22)23)10(4,8-2)26-6/h7-8H2,1-6H3.
What are the key properties of 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane?
2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane has a molecular weight of 424.32 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane is sourced from PubChem (CID 88557571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).