2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane

C12H12F12O2 — CID 58587215

IUPAC2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane
SMILESC=C(F)C(F)(F)OC(F)(F)C(F)(COCC(CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12F12O2/c1-3-7(9(15,16)17)4-25-5-8(14,11(20,21)22)12(23,24)26-10(18,19)6(2)13/h7H,2-5H2,1H3
InChIKeyICZSQCXAJHZYAJ-UHFFFAOYSA-N
MW416.20 g/mol
LogP5.55
Rot. Bonds9

About 2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane

2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane (PubChem CID 58587215) has the molecular formula C12H12F12O2 and a molecular weight of 416.20 g/mol. Its IUPAC name is 2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane.

Molecular Properties

Compound Name2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane
PubChem CID58587215
Molecular FormulaC12H12F12O2
Molecular Weight416.20 g/mol
Exact Mass416.06
IUPAC Name2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane
SMILESC=C(F)C(F)(F)OC(F)(F)C(F)(COCC(CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12F12O2/c1-3-7(9(15,16)17)4-25-5-8(14,11(20,21)22)12(23,24)26-10(18,19)6(2)13/h7H,2-5H2,1H3
InChIKeyICZSQCXAJHZYAJ-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.20
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane?
The IUPAC name of 2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane (CID 58587215) is 2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane.
What is the SMILES notation for 2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane?
The canonical SMILES for 2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane is C=C(F)C(F)(F)OC(F)(F)C(F)(COCC(CC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane?
The InChIKey is ICZSQCXAJHZYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F12O2/c1-3-7(9(15,16)17)4-25-5-8(14,11(20,21)22)12(23,24)26-10(18,19)6(2)13/h7H,2-5H2,1H3.
What are the key properties of 2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane?
2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane has a molecular weight of 416.20 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[difluoro(1,1,2-trifluoroprop-2-enoxy)methyl]-2,3,3,3-tetrafluoropropoxy]methyl]-1,1,1-trifluorobutane is sourced from PubChem (CID 58587215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).