1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane

C7H8F12O — CID 160879773

IUPAC1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane
SMILESC.C.FC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F12O.2CH4/c6-1(7,2(8,9)10)4(14,15)18-5(16,17)3(11,12)13;;/h;2*1H4
InChIKeySMWOJJDNPVKVSW-UHFFFAOYSA-N
MW336.12 g/mol
LogP5.22
Rot. Bonds3

About 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane

1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane (PubChem CID 160879773) has the molecular formula C7H8F12O and a molecular weight of 336.12 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane
PubChem CID160879773
Molecular FormulaC7H8F12O
Molecular Weight336.12 g/mol
Exact Mass336.04
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane
SMILESC.C.FC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F12O.2CH4/c6-1(7,2(8,9)10)4(14,15)18-5(16,17)3(11,12)13;;/h;2*1H4
InChIKeySMWOJJDNPVKVSW-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.12
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane (CID 160879773) is 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane is C.C.FC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane?
The InChIKey is SMWOJJDNPVKVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F12O.2CH4/c6-1(7,2(8,9)10)4(14,15)18-5(16,17)3(11,12)13;;/h;2*1H4.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane?
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane has a molecular weight of 336.12 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane is sourced from PubChem (CID 160879773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).