1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane

C10H6F16O — CID 22395523

IUPAC1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane
SMILESCC(F)(OC(C)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c1-3(11,5(13,14)7(17,18)9(21,22)23)27-4(2,12)6(15,16)8(19,20)10(24,25)26/h1-2H3
InChIKeyKCYURIDEZBCVQY-UHFFFAOYSA-N
MW446.13 g/mol
LogP6.04
Rot. Bonds6

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

1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane (PubChem CID 22395523) has the molecular formula C10H6F16O and a molecular weight of 446.13 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane
PubChem CID22395523
Molecular FormulaC10H6F16O
Molecular Weight446.13 g/mol
Exact Mass446.02
IUPAC Name1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane
SMILESCC(F)(OC(C)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c1-3(11,5(13,14)7(17,18)9(21,22)23)27-4(2,12)6(15,16)8(19,20)10(24,25)26/h1-2H3
InChIKeyKCYURIDEZBCVQY-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.13
LogP ≤ 56.04
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 1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane?
The IUPAC name of 1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane (CID 22395523) is 1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane?
The canonical SMILES for 1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane is CC(F)(OC(C)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane?
The InChIKey is KCYURIDEZBCVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F16O/c1-3(11,5(13,14)7(17,18)9(21,22)23)27-4(2,12)6(15,16)8(19,20)10(24,25)26/h1-2H3.
What are the key properties of 1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane?
1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane has a molecular weight of 446.13 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4-octafluoro-4-(2,3,3,4,4,5,5,5-octafluoropentan-2-yloxy)pentane is sourced from PubChem (CID 22395523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).