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

C8H2F14O — CID 170693713

IUPAC1,1,1,4,4,5,5,5-octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)COC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F14O/c9-4(10,11)1-23-3(5(12,13)8(20,21)22)2(6(14,15)16)7(17,18)19/h1H2
InChIKeyDRQPZWCIIKKHEC-UHFFFAOYSA-N
MW380.08 g/mol
LogP5.14
Rot. Bonds3

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

1,1,1,4,4,5,5,5-octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene (PubChem CID 170693713) has the molecular formula C8H2F14O and a molecular weight of 380.08 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,5,5,5-octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene
PubChem CID170693713
Molecular FormulaC8H2F14O
Molecular Weight380.08 g/mol
Exact Mass379.99
IUPAC Name1,1,1,4,4,5,5,5-octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)COC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F14O/c9-4(10,11)1-23-3(5(12,13)8(20,21)22)2(6(14,15)16)7(17,18)19/h1H2
InChIKeyDRQPZWCIIKKHEC-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.08
LogP ≤ 55.14
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'}

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

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Related Compounds

1,1,1,4,4,5,5,5-Octafluoro-3-propan-2-yloxy-2-(trifluoromethyl)pent-2-ene
CID 13513419
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
2,4-Bis(trifluoromethyl)-3-methoxy-1,1,1,5,5,5-hexafluoro-2-pentene
CID 23233564
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
1,1,1,4,5,5,5-Heptafluoro-3-propan-2-yloxy-2,4-bis(trifluoromethyl)pent-2-ene
CID 19761971

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene (CID 170693713) is 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene is FC(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-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene?
The InChIKey is DRQPZWCIIKKHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F14O/c9-4(10,11)1-23-3(5(12,13)8(20,21)22)2(6(14,15)16)7(17,18)19/h1H2.
What are the key properties of 1,1,1,4,4,5,5,5-octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene?
1,1,1,4,4,5,5,5-octafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene has a molecular weight of 380.08 g/mol, XLogP of 5.14, 3 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-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 170693713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).