4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane

C10H2F20O — CID 22000987

IUPAC4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane
SMILESFC(F)(F)C(OC(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H2F20O/c11-3(12,7(21,22)9(25,26)27)1(5(15,16)17)31-2(6(18,19)20)4(13,14)8(23,24)10(28,29)30/h1-2H
InChIKeyQNHAUQWROXTFHC-UHFFFAOYSA-N
MW518.09 g/mol
LogP6.53
Rot. Bonds6

About 4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane

4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane (PubChem CID 22000987) has the molecular formula C10H2F20O and a molecular weight of 518.09 g/mol. Its IUPAC name is 4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane.

Molecular Properties

Compound Name4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane
PubChem CID22000987
Molecular FormulaC10H2F20O
Molecular Weight518.09 g/mol
Exact Mass517.98
IUPAC Name4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane
SMILESFC(F)(F)C(OC(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H2F20O/c11-3(12,7(21,22)9(25,26)27)1(5(15,16)17)31-2(6(18,19)20)4(13,14)8(23,24)10(28,29)30/h1-2H
InChIKeyQNHAUQWROXTFHC-UHFFFAOYSA-N
XLogP6.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.09
LogP ≤ 56.53
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 4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane?
The IUPAC name of 4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane (CID 22000987) is 4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane.
What is the SMILES notation for 4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane?
The canonical SMILES for 4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane is FC(F)(F)C(OC(C(F)(F)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 4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane?
The InChIKey is QNHAUQWROXTFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F20O/c11-3(12,7(21,22)9(25,26)27)1(5(15,16)17)31-2(6(18,19)20)4(13,14)8(23,24)10(28,29)30/h1-2H.
What are the key properties of 4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane?
4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane has a molecular weight of 518.09 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,4,4,5,5,5-decafluoropentan-2-yloxy)-1,1,1,2,2,3,3,5,5,5-decafluoropentane is sourced from PubChem (CID 22000987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).