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

C11H8F14O — CID 170698896

IUPAC1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene
SMILESFC(F)(F)CCCCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F14O/c12-7(13,14)3-1-2-4-26-6(8(15,16)11(23,24)25)5(9(17,18)19)10(20,21)22/h1-4H2
InChIKeyNDXCOQHWULSIJA-UHFFFAOYSA-N
MW422.16 g/mol
LogP6.31
Rot. Bonds6

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

1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene (PubChem CID 170698896) has the molecular formula C11H8F14O and a molecular weight of 422.16 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene
PubChem CID170698896
Molecular FormulaC11H8F14O
Molecular Weight422.16 g/mol
Exact Mass422.04
IUPAC Name1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene
SMILESFC(F)(F)CCCCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F14O/c12-7(13,14)3-1-2-4-26-6(8(15,16)11(23,24)25)5(9(17,18)19)10(20,21)22/h1-4H2
InChIKeyNDXCOQHWULSIJA-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.16
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene with MolForge

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Related Compounds

3-Butan-2-yloxy-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-ene
CID 13513420
1,1,1,4,4,5,5,5-Octafluoro-3-(2-methylpropoxy)-2-(trifluoromethyl)pent-2-ene
CID 13513421
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-Methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 12869549
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
1,1,1,4,5,5,5-Heptafluoro-3-(3-methylbutoxy)-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761938
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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene?
The IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene (CID 170698896) is 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene.
What is the SMILES notation for 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene?
The canonical SMILES for 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene is FC(F)(F)CCCCOC(=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-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene?
The InChIKey is NDXCOQHWULSIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F14O/c12-7(13,14)3-1-2-4-26-6(8(15,16)11(23,24)25)5(9(17,18)19)10(20,21)22/h1-4H2.
What are the key properties of 1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene?
1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene has a molecular weight of 422.16 g/mol, XLogP of 6.31, 6 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-2-(trifluoromethyl)-3-(5,5,5-trifluoropentoxy)pent-2-ene is sourced from PubChem (CID 170698896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).