1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane

C12H18F8O3 — CID 22967415

IUPAC1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane
SMILESCCCC(COC)(COC(F)(F)C(F)F)COC(F)(F)C(F)F
InChIInChI=1S/C12H18F8O3/c1-3-4-10(5-21-2,6-22-11(17,18)8(13)14)7-23-12(19,20)9(15)16/h8-9H,3-7H2,1-2H3
InChIKeyWNDCBYSYEVVMLI-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.17
Rot. Bonds12

About 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane

1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane (PubChem CID 22967415) has the molecular formula C12H18F8O3 and a molecular weight of 362.26 g/mol. Its IUPAC name is 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane.

Molecular Properties

Compound Name1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane
PubChem CID22967415
Molecular FormulaC12H18F8O3
Molecular Weight362.26 g/mol
Exact Mass362.11
IUPAC Name1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane
SMILESCCCC(COC)(COC(F)(F)C(F)F)COC(F)(F)C(F)F
InChIInChI=1S/C12H18F8O3/c1-3-4-10(5-21-2,6-22-11(17,18)8(13)14)7-23-12(19,20)9(15)16/h8-9H,3-7H2,1-2H3
InChIKeyWNDCBYSYEVVMLI-UHFFFAOYSA-N
XLogP4.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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?
The IUPAC name of 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane (CID 22967415) is 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane.
What is the SMILES notation for 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane?
The canonical SMILES for 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane is CCCC(COC)(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?
The InChIKey is WNDCBYSYEVVMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F8O3/c1-3-4-10(5-21-2,6-22-11(17,18)8(13)14)7-23-12(19,20)9(15)16/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane?
1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane has a molecular weight of 362.26 g/mol, XLogP of 4.17, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane is sourced from PubChem (CID 22967415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).