1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane

C8H8F10O — CID 54525706

IUPAC1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane
SMILESCC(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C8H8F10O/c1-3(9)5(11,12)7(15,16)19-8(17,18)6(13,14)4(2)10/h3-4H,1-2H3
InChIKeyYSYRETXRSPOMMT-UHFFFAOYSA-N
MW310.13 g/mol
LogP4.18
Rot. Bonds6

About 1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane

1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane (PubChem CID 54525706) has the molecular formula C8H8F10O and a molecular weight of 310.13 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane
PubChem CID54525706
Molecular FormulaC8H8F10O
Molecular Weight310.13 g/mol
Exact Mass310.04
IUPAC Name1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane
SMILESCC(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)F
InChIInChI=1S/C8H8F10O/c1-3(9)5(11,12)7(15,16)19-8(17,18)6(13,14)4(2)10/h3-4H,1-2H3
InChIKeyYSYRETXRSPOMMT-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 54.18
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 1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane?
The IUPAC name of 1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane (CID 54525706) is 1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane.
What is the SMILES notation for 1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane?
The canonical SMILES for 1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane is CC(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(C)F.
What is the InChIKey of 1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane?
The InChIKey is YSYRETXRSPOMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F10O/c1-3(9)5(11,12)7(15,16)19-8(17,18)6(13,14)4(2)10/h3-4H,1-2H3.
What are the key properties of 1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane?
1,1,2,2,3-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane has a molecular weight of 310.13 g/mol, XLogP of 4.18, 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-pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane is sourced from PubChem (CID 54525706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).