2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane

C11H5F17O — CID 19898567

IUPAC2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane
SMILESFC1OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)C(F)C1F
InChIInChI=1S/C11H5F17O/c12-1-2(13)4(29-5(15)3(1)14)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-5H
InChIKeyYOEODUPTISTWSM-UHFFFAOYSA-N
MW476.13 g/mol
LogP5.43
Rot. Bonds5

About 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane

2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane (PubChem CID 19898567) has the molecular formula C11H5F17O and a molecular weight of 476.13 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane
PubChem CID19898567
Molecular FormulaC11H5F17O
Molecular Weight476.13 g/mol
Exact Mass476.01
IUPAC Name2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane
SMILESFC1OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)C(F)C1F
InChIInChI=1S/C11H5F17O/c12-1-2(13)4(29-5(15)3(1)14)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-5H
InChIKeyYOEODUPTISTWSM-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.13
LogP ≤ 55.43
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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
4-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,3-dioxolan-2-one
CID 130342560
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
(2S,3S)-2-fluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxirane
CID 135324373
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane
CID 19783535
(2R,3S)-2,3-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxirane
CID 98115471
(2S,3R)-2,3-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxirane
CID 98115470
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)oxane-2,6-dione
CID 11466742
1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane;thiophene
CID 138676934

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane?
The IUPAC name of 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane (CID 19898567) is 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane is FC1OC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)C(F)C1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane?
The InChIKey is YOEODUPTISTWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F17O/c12-1-2(13)4(29-5(15)3(1)14)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-5H.
What are the key properties of 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane?
2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane has a molecular weight of 476.13 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxane is sourced from PubChem (CID 19898567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).