1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane

C9F20O — CID 15006621

IUPAC1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9F20O/c10-2(11,3(12,13)7(22,23)24)1(5(16,17)18,6(19,20)21)30-9(28,29)4(14,15)8(25,26)27
InChIKeyLWHFAHHJOJUJNJ-UHFFFAOYSA-N
MW504.06 g/mol
LogP6.49
Rot. Bonds5

About 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane

1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane (PubChem CID 15006621) has the molecular formula C9F20O and a molecular weight of 504.06 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane
PubChem CID15006621
Molecular FormulaC9F20O
Molecular Weight504.06 g/mol
Exact Mass503.96
IUPAC Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane
SMILESFC(F)(F)C(F)(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9F20O/c10-2(11,3(12,13)7(22,23)24)1(5(16,17)18,6(19,20)21)30-9(28,29)4(14,15)8(25,26)27
InChIKeyLWHFAHHJOJUJNJ-UHFFFAOYSA-N
XLogP6.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.06
LogP ≤ 56.49
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 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane (CID 15006621) is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane is FC(F)(F)C(F)(F)C(F)(F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane?
The InChIKey is LWHFAHHJOJUJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F20O/c10-2(11,3(12,13)7(22,23)24)1(5(16,17)18,6(19,20)21)30-9(28,29)4(14,15)8(25,26)27.
What are the key properties of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane?
1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane has a molecular weight of 504.06 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-4-(trifluoromethyl)pentane is sourced from PubChem (CID 15006621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).