2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene

C15H16F14O4 — CID 142646958

IUPAC2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene
SMILESC=C(CCCCC(C)F)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C15H16F14O4/c1-8(16)5-3-4-6-9(2)30-7-10(17,18)31-11(19,20)12(21,22)32-13(23,24)14(25,26)33-15(27,28)29/h8H,2-7H2,1H3
InChIKeyPFJPOBZWDSGYRO-UHFFFAOYSA-N
MW526.26 g/mol
LogP6.97
Rot. Bonds15

About 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene

2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene (PubChem CID 142646958) has the molecular formula C15H16F14O4 and a molecular weight of 526.26 g/mol. Its IUPAC name is 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene.

Molecular Properties

Compound Name2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene
PubChem CID142646958
Molecular FormulaC15H16F14O4
Molecular Weight526.26 g/mol
Exact Mass526.08
IUPAC Name2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene
SMILESC=C(CCCCC(C)F)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C15H16F14O4/c1-8(16)5-3-4-6-9(2)30-7-10(17,18)31-11(19,20)12(21,22)32-13(23,24)14(25,26)33-15(27,28)29/h8H,2-7H2,1H3
InChIKeyPFJPOBZWDSGYRO-UHFFFAOYSA-N
XLogP6.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.26
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene?
The IUPAC name of 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene (CID 142646958) is 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene.
What is the SMILES notation for 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene?
The canonical SMILES for 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene is C=C(CCCCC(C)F)OCC(F)(F)OC(F)(F)C(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-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene?
The InChIKey is PFJPOBZWDSGYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F14O4/c1-8(16)5-3-4-6-9(2)30-7-10(17,18)31-11(19,20)12(21,22)32-13(23,24)14(25,26)33-15(27,28)29/h8H,2-7H2,1H3.
What are the key properties of 2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene?
2-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene has a molecular weight of 526.26 g/mol, XLogP of 6.97, 15 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-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethoxy]-7-fluorooct-1-ene is sourced from PubChem (CID 142646958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).