1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane

C24H32F20O7 — CID 90942370

IUPAC1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane
SMILESCCCC(COC)(COC(F)(F)C(F)F)COC(F)(F)C(F)F.COCC(COC(F)(F)C(F)F)(COC(F)(F)C(F)F)COC(F)(F)C(F)F
InChIInChI=1S/C12H14F12O4.C12H18F8O3/c1-25-2-9(3-26-10(19,20)6(13)14,4-27-11(21,22)7(15)16)5-28-12(23,24)8(17)18;1-3-4-10(5-21-2,6-22-11(17,18)8(13)14)7-23-12(19,20)9(15)16/h6-8H,2-5H2,1H3;8-9H,3-7H2,1-2H3
InChIKeyRLVHWBPZUPBZRE-UHFFFAOYSA-N
MW812.47 g/mol
LogP8.41
Rot. Bonds26

About 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane

1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane (PubChem CID 90942370) has the molecular formula C24H32F20O7 and a molecular weight of 812.47 g/mol. Its IUPAC name is 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane.

Molecular Properties

Compound Name1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane
PubChem CID90942370
Molecular FormulaC24H32F20O7
Molecular Weight812.47 g/mol
Exact Mass812.18
IUPAC Name1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane
SMILESCCCC(COC)(COC(F)(F)C(F)F)COC(F)(F)C(F)F.COCC(COC(F)(F)C(F)F)(COC(F)(F)C(F)F)COC(F)(F)C(F)F
InChIInChI=1S/C12H14F12O4.C12H18F8O3/c1-25-2-9(3-26-10(19,20)6(13)14,4-27-11(21,22)7(15)16)5-28-12(23,24)8(17)18;1-3-4-10(5-21-2,6-22-11(17,18)8(13)14)7-23-12(19,20)9(15)16/h6-8H,2-5H2,1H3;8-9H,3-7H2,1-2H3
InChIKeyRLVHWBPZUPBZRE-UHFFFAOYSA-N
XLogP8.41
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.47
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane?
The IUPAC name of 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane (CID 90942370) is 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane.
What is the SMILES notation for 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane?
The canonical SMILES for 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane is CCCC(COC)(COC(F)(F)C(F)F)COC(F)(F)C(F)F.COCC(COC(F)(F)C(F)F)(COC(F)(F)C(F)F)COC(F)(F)C(F)F.
What is the InChIKey of 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane?
The InChIKey is RLVHWBPZUPBZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F12O4.C12H18F8O3/c1-25-2-9(3-26-10(19,20)6(13)14,4-27-11(21,22)7(15)16)5-28-12(23,24)8(17)18;1-3-4-10(5-21-2,6-22-11(17,18)8(13)14)7-23-12(19,20)9(15)16/h6-8H,2-5H2,1H3;8-9H,3-7H2,1-2H3.
What are the key properties of 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane?
1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane has a molecular weight of 812.47 g/mol, XLogP of 8.41, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane;1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane is sourced from PubChem (CID 90942370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).