1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane

C7HF15O — CID 14832369

IUPAC1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
SMILESFC(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF15O/c8-1(9)2(10,11)23-7(21,22)5(16,17)3(12,13)4(14,15)6(18,19)20/h1H
InChIKeyKNGOJJDRHVWZIR-UHFFFAOYSA-N
MW386.05 g/mol
LogP4.92
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane

1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane (PubChem CID 14832369) has the molecular formula C7HF15O and a molecular weight of 386.05 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
PubChem CID14832369
Molecular FormulaC7HF15O
Molecular Weight386.05 g/mol
Exact Mass385.98
IUPAC Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
SMILESFC(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7HF15O/c8-1(9)2(10,11)23-7(21,22)5(16,17)3(12,13)4(14,15)6(18,19)20/h1H
InChIKeyKNGOJJDRHVWZIR-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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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Related Compounds

1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
1,1,2,2,3,3,4,4,5,5-Decafluoro-1-((trifluorovinyl)oxy)pentane
CID 6365727
5-(Difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
CID 22436579
1,1'-Oxybis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane)
CID 136314
2,2,6,6-Tetrafluorotetrahydropyrane
CID 129670295
Furan, 2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorotetrahydro-
CID 10681972
(4S,5S)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane
CID 175928451
1,1,1,2,2,3,3,4,4,5,5-Undecafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)pentane
CID 12596614
(4R,5S)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane
CID 73057418
1,1,2,2,3,3,4,4-Octafluoro-1-(1,1,2,2-tetrafluoroethoxy)butane
CID 2783350
(4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane
CID 15717481
2,2,3,3,5,5,6,6-Octafluorooxane
CID 18737302

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane (CID 14832369) is 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane is FC(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane?
The InChIKey is KNGOJJDRHVWZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF15O/c8-1(9)2(10,11)23-7(21,22)5(16,17)3(12,13)4(14,15)6(18,19)20/h1H.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane?
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane has a molecular weight of 386.05 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane is sourced from PubChem (CID 14832369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).