2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane

C14H21F9O4 — CID 90196552

IUPAC2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane
SMILESCCOC(C)(C)CC(C)(C)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C14H21F9O4/c1-6-24-9(2,3)7-10(4,5)25-8-11(15,16)26-12(17,18)13(19,20)27-14(21,22)23/h6-8H2,1-5H3
InChIKeyHHRYUSCUUQEILI-UHFFFAOYSA-N
MW424.30 g/mol
LogP5.32
Rot. Bonds11

About 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane

2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane (PubChem CID 90196552) has the molecular formula C14H21F9O4 and a molecular weight of 424.30 g/mol. Its IUPAC name is 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane.

Molecular Properties

Compound Name2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane
PubChem CID90196552
Molecular FormulaC14H21F9O4
Molecular Weight424.30 g/mol
Exact Mass424.13
IUPAC Name2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane
SMILESCCOC(C)(C)CC(C)(C)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C14H21F9O4/c1-6-24-9(2,3)7-10(4,5)25-8-11(15,16)26-12(17,18)13(19,20)27-14(21,22)23/h6-8H2,1-5H3
InChIKeyHHRYUSCUUQEILI-UHFFFAOYSA-N
XLogP5.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.30
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane?
The IUPAC name of 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane (CID 90196552) is 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane.
What is the SMILES notation for 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane?
The canonical SMILES for 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane is CCOC(C)(C)CC(C)(C)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane?
The InChIKey is HHRYUSCUUQEILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F9O4/c1-6-24-9(2,3)7-10(4,5)25-8-11(15,16)26-12(17,18)13(19,20)27-14(21,22)23/h6-8H2,1-5H3.
What are the key properties of 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane?
2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane has a molecular weight of 424.30 g/mol, XLogP of 5.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-4-ethoxy-2,4-dimethylpentane is sourced from PubChem (CID 90196552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).