2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane

C14H15F15O2 — CID 121480976

IUPAC2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane
SMILESCCC(C)(OC(F)(F)C(F)(C(F)(F)F)C(C)(C)OC(F)(F)C(F)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C14H15F15O2/c1-5-8(4,9(17,18)6(15)16)31-13(26,27)10(19,11(20,21)22)7(2,3)30-14(28,29)12(23,24)25/h6H,5H2,1-4H3
InChIKeyLINGNBVDXDECPT-UHFFFAOYSA-N
MW500.24 g/mol
LogP6.89
Rot. Bonds9

About 2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane

2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane (PubChem CID 121480976) has the molecular formula C14H15F15O2 and a molecular weight of 500.24 g/mol. Its IUPAC name is 2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane.

Molecular Properties

Compound Name2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane
PubChem CID121480976
Molecular FormulaC14H15F15O2
Molecular Weight500.24 g/mol
Exact Mass500.08
IUPAC Name2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane
SMILESCCC(C)(OC(F)(F)C(F)(C(F)(F)F)C(C)(C)OC(F)(F)C(F)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C14H15F15O2/c1-5-8(4,9(17,18)6(15)16)31-13(26,27)10(19,11(20,21)22)7(2,3)30-14(28,29)12(23,24)25/h6H,5H2,1-4H3
InChIKeyLINGNBVDXDECPT-UHFFFAOYSA-N
XLogP6.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.24
LogP ≤ 56.89
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 2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane?
The IUPAC name of 2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane (CID 121480976) is 2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane.
What is the SMILES notation for 2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane?
The canonical SMILES for 2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane is CCC(C)(OC(F)(F)C(F)(C(F)(F)F)C(C)(C)OC(F)(F)C(F)(F)F)C(F)(F)C(F)F.
What is the InChIKey of 2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane?
The InChIKey is LINGNBVDXDECPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F15O2/c1-5-8(4,9(17,18)6(15)16)31-13(26,27)10(19,11(20,21)22)7(2,3)30-14(28,29)12(23,24)25/h6H,5H2,1-4H3.
What are the key properties of 2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane?
2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane has a molecular weight of 500.24 g/mol, XLogP of 6.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(1,1,2,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methyl-3-(1,1,2,2,2-pentafluoroethoxy)butane is sourced from PubChem (CID 121480976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).