1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane

C11H5F19O — CID 87287750

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane
SMILESFC(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F19O/c12-3(13)4(14,15)1-31-2-5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h3H,1-2H2
InChIKeyHOQGLISVXKLNTE-UHFFFAOYSA-N
MW514.12 g/mol
LogP6.28
Rot. Bonds10

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane (PubChem CID 87287750) has the molecular formula C11H5F19O and a molecular weight of 514.12 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane
PubChem CID87287750
Molecular FormulaC11H5F19O
Molecular Weight514.12 g/mol
Exact Mass514.00
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane
SMILESFC(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F19O/c12-3(13)4(14,15)1-31-2-5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h3H,1-2H2
InChIKeyHOQGLISVXKLNTE-UHFFFAOYSA-N
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.12
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane with MolForge

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Related Compounds

BIS(1,1,2,2-tetrahydroperfluorooctyl) ether
CID 11828643
Ethyl perfluorooctyl ether
CID 87277037
Tetrahydro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan
CID 134921
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-propoxyoctane
CID 44480567
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
CID 44480568
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-[(prop-2-yn-1-yl)oxy]octane
CID 125488954
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
6-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 85753373
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-(trifluoromethoxy)heptane
CID 98454527
Ethyl perfluoroheptyl ether
CID 9909702
(Perfluorohexyl)ethyl ether
CID 87277022
Dodecafluoroheptyl ether
CID 87506221

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane (CID 87287750) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane is FC(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane?
The InChIKey is HOQGLISVXKLNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F19O/c12-3(13)4(14,15)1-31-2-5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h3H,1-2H2.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane has a molecular weight of 514.12 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(2,2,3,3-tetrafluoropropoxy)octane is sourced from PubChem (CID 87287750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).