1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane

C8H7F11O — CID 18519649

IUPAC1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane
SMILESCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F11O/c1-2-3-20-8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h2-3H2,1H3
InChIKeyBUBOOZUTVJDNDE-UHFFFAOYSA-N
MW328.12 g/mol
LogP4.47
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane

1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane (PubChem CID 18519649) has the molecular formula C8H7F11O and a molecular weight of 328.12 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane
PubChem CID18519649
Molecular FormulaC8H7F11O
Molecular Weight328.12 g/mol
Exact Mass328.03
IUPAC Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane
SMILESCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F11O/c1-2-3-20-8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h2-3H2,1H3
InChIKeyBUBOOZUTVJDNDE-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 54.47
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

Ethoxynonafluorobutane
CID 206000
1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
1,1,1,2,3,3-Hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 71405907
1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane
CID 22646028
1,1,1,2,2,3,3,4,4-Nonafluoro-4-propoxybutane
CID 22670037
1-Ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
CID 23432499
1,1,1,2,2,3,3,4,4-Nonafluoro-6-propoxyhexane
CID 44480565
1,1,1,2,2,3,3,4,4-Nonafluoro-6-(pentyloxy)hexane
CID 44480566
4-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 75360834
6-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 85753373
Ethyl perfluoroheptyl ether
CID 9909702
(Perfluorohexyl)ethyl ether
CID 87277022

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane (CID 18519649) is 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane is CCCOC(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-propoxypentane?
The InChIKey is BUBOOZUTVJDNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F11O/c1-2-3-20-8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h2-3H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane?
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propoxypentane has a molecular weight of 328.12 g/mol, XLogP of 4.47, 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-propoxypentane is sourced from PubChem (CID 18519649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).