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

C10H6F14O — CID 170698893

IUPAC1,1,1,4,4,5,5,5-octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)CCCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F14O/c11-6(12,13)2-1-3-25-5(7(14,15)10(22,23)24)4(8(16,17)18)9(19,20)21/h1-3H2
InChIKeyRGQZFPPPXDDLCO-UHFFFAOYSA-N
MW408.13 g/mol
LogP5.92
Rot. Bonds5

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

1,1,1,4,4,5,5,5-octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene (PubChem CID 170698893) has the molecular formula C10H6F14O and a molecular weight of 408.13 g/mol. Its IUPAC name is 1,1,1,4,4,5,5,5-octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,4,4,5,5,5-octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene
PubChem CID170698893
Molecular FormulaC10H6F14O
Molecular Weight408.13 g/mol
Exact Mass408.02
IUPAC Name1,1,1,4,4,5,5,5-octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene
SMILESFC(F)(F)CCCOC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F14O/c11-6(12,13)2-1-3-25-5(7(14,15)10(22,23)24)4(8(16,17)18)9(19,20)21/h1-3H2
InChIKeyRGQZFPPPXDDLCO-UHFFFAOYSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.13
LogP ≤ 55.92
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-3-(4,4,4-trifluorobutoxy)-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
2-Ethoxy-1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene
CID 12756899
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
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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,4,4,5,5,5-octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene (CID 170698893) is 1,1,1,4,4,5,5,5-octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,4,4,5,5,5-octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,4,4,5,5,5-octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene is FC(F)(F)CCCOC(=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-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene?
The InChIKey is RGQZFPPPXDDLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F14O/c11-6(12,13)2-1-3-25-5(7(14,15)10(22,23)24)4(8(16,17)18)9(19,20)21/h1-3H2.
What are the key properties of 1,1,1,4,4,5,5,5-octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene?
1,1,1,4,4,5,5,5-octafluoro-3-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene has a molecular weight of 408.13 g/mol, XLogP of 5.92, 5 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-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 170698893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).