1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane

C7H3F11O — CID 10018385

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane
SMILESFC(F)=C(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H3F11O/c8-2(9)3(10)19-1-5(13,14)7(17,18)6(15,16)4(11)12/h4H,1H2
InChIKeyIKALFOCYEAOIFS-UHFFFAOYSA-N
MW312.08 g/mol
LogP4.21
Rot. Bonds6

About 1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane

1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane (PubChem CID 10018385) has the molecular formula C7H3F11O and a molecular weight of 312.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane
PubChem CID10018385
Molecular FormulaC7H3F11O
Molecular Weight312.08 g/mol
Exact Mass312.00
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane
SMILESFC(F)=C(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H3F11O/c8-2(9)3(10)19-1-5(13,14)7(17,18)6(15,16)4(11)12/h4H,1H2
InChIKeyIKALFOCYEAOIFS-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane (CID 10018385) is 1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane is FC(F)=C(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane?
The InChIKey is IKALFOCYEAOIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11O/c8-2(9)3(10)19-1-5(13,14)7(17,18)6(15,16)4(11)12/h4H,1H2.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane?
1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane has a molecular weight of 312.08 g/mol, XLogP of 4.21, 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-5-(1,2,2-trifluoroethenoxy)pentane is sourced from PubChem (CID 10018385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).