1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene

C11H3F19O — CID 15210906

IUPAC1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H3F19O/c12-4(13)7(18,19)10(26,27)5(14,15)1-31-3(6(16,17)11(28,29)30)2(8(20,21)22)9(23,24)25/h4H,1H2
InChIKeyCXUIPQMFHUWBEE-UHFFFAOYSA-N
MW512.11 g/mol
LogP6.75
Rot. Bonds7

About 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene

1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene (PubChem CID 15210906) has the molecular formula C11H3F19O and a molecular weight of 512.11 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene
PubChem CID15210906
Molecular FormulaC11H3F19O
Molecular Weight512.11 g/mol
Exact Mass511.99
IUPAC Name1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H3F19O/c12-4(13)7(18,19)10(26,27)5(14,15)1-31-3(6(16,17)11(28,29)30)2(8(20,21)22)9(23,24)25/h4H,1H2
InChIKeyCXUIPQMFHUWBEE-UHFFFAOYSA-N
XLogP6.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.11
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-Ethoxyperfluoro-2-methyl-2-pentene
CID 12662703
3-Ethoxy-1,1,1,4,4,5,5,6,6,6-decafluoro-2-(trifluoromethyl)hex-2-ene
CID 13267237
1,1,1,4,4,5,5,5-Octafluoro-3-(2,2,3,3-tetrafluoropropoxy)-2-(trifluoromethyl)pent-2-ene
CID 13513424
1,1,1,4,4,5,5,5-Octafluoro-3-propoxy-2-(trifluoromethyl)pent-2-ene
CID 15006628
1,1,1,4,5,5,5-Heptafluoro-3-propoxy-2,4-bis(trifluoromethyl)pent-2-ene
CID 15124829
3-Ethoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761951
3-Butoxy-1,1,1,4,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761956
3-Butoxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 19761976
(E)-1,1,1,2,2,3,5,5,6,6,7,7,8,8,8-pentadecafluoro-4-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 89614750
(E)-1,1,1,2,2,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-3-(2,2,3,3-tetrafluoropropoxy)oct-3-ene
CID 145590566
1,3,3,4,4,5,5-Heptafluoro-2-(2,2,3,3-tetrafluoropropoxy)cyclopentene
CID 155670508
1,3,3,4,4,5,5-Heptafluoro-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 155670543

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene (CID 15210906) is 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene is FC(F)C(F)(F)C(F)(F)C(F)(F)COC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene?
The InChIKey is CXUIPQMFHUWBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F19O/c12-4(13)7(18,19)10(26,27)5(14,15)1-31-3(6(16,17)11(28,29)30)2(8(20,21)22)9(23,24)25/h4H,1H2.
What are the key properties of 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene?
1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene has a molecular weight of 512.11 g/mol, XLogP of 6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 15210906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).