1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane

C7HF15O — CID 21344268

IUPAC1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane
SMILESFC(F)(F)C(OC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF15O/c8-2(9,4(13,14)5(15,16)17)1(3(10,11)12)23-7(21,22)6(18,19)20/h1H
InChIKeyZUVQPCHVTCLGHO-UHFFFAOYSA-N
MW386.05 g/mol
LogP4.92
Rot. Bonds4

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

1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane (PubChem CID 21344268) has the molecular formula C7HF15O and a molecular weight of 386.05 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane
PubChem CID21344268
Molecular FormulaC7HF15O
Molecular Weight386.05 g/mol
Exact Mass385.98
IUPAC Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane
SMILESFC(F)(F)C(OC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF15O/c8-2(9,4(13,14)5(15,16)17)1(3(10,11)12)23-7(21,22)6(18,19)20/h1H
InChIKeyZUVQPCHVTCLGHO-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.05
LogP ≤ 54.92
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-(1,1,2,2,2-pentafluoroethoxy)pentane?
The IUPAC name of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane (CID 21344268) is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane?
The canonical SMILES for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane is FC(F)(F)C(OC(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-(1,1,2,2,2-pentafluoroethoxy)pentane?
The InChIKey is ZUVQPCHVTCLGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF15O/c8-2(9,4(13,14)5(15,16)17)1(3(10,11)12)23-7(21,22)6(18,19)20/h1H.
What are the key properties of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane?
1,1,1,2,2,3,3,5,5,5-decafluoro-4-(1,1,2,2,2-pentafluoroethoxy)pentane has a molecular weight of 386.05 g/mol, XLogP of 4.92, 4 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-(1,1,2,2,2-pentafluoroethoxy)pentane is sourced from PubChem (CID 21344268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).