1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane

C7H4F12O — CID 129185682

IUPAC1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C7H4F12O/c1-3(10,11)5(14,15)6(16,17)7(18,19)20-4(12,13)2(8)9/h2H,1H3
InChIKeyJDEYGKURBJHNJC-UHFFFAOYSA-N
MW332.08 g/mol
LogP4.38
Rot. Bonds6

About 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane

1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane (PubChem CID 129185682) has the molecular formula C7H4F12O and a molecular weight of 332.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane
PubChem CID129185682
Molecular FormulaC7H4F12O
Molecular Weight332.08 g/mol
Exact Mass332.01
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C7H4F12O/c1-3(10,11)5(14,15)6(16,17)7(18,19)20-4(12,13)2(8)9/h2H,1H3
InChIKeyJDEYGKURBJHNJC-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
CID 87506219
1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane
CID 173336880
2,3-dimethyl-2-(1,1,2,2-tetrafluoroethoxy)butane
CID 139669685
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane
CID 22735005
ethane;2,2,3,3,4,4,5,5-octafluorohexane
CID 144773774
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane
CID 12663045
3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol
CID 88558531
1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane
CID 166762546
1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)pentane
CID 88551399
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
2,2,3,3,4,4-hexafluoropentane
CID 18188371
1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptyl)-4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)octyl]benzene
CID 167303617

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane (CID 129185682) is 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane?
The InChIKey is JDEYGKURBJHNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12O/c1-3(10,11)5(14,15)6(16,17)7(18,19)20-4(12,13)2(8)9/h2H,1H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane?
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane has a molecular weight of 332.08 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane is sourced from PubChem (CID 129185682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).