5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene

C10H12F6O — CID 89310137

IUPAC5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene
SMILESC=CCC(OC(CC=C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O/c1-3-5-7(9(11,12)13)17-8(6-4-2)10(14,15)16/h3-4,7-8H,1-2,5-6H2
InChIKeyLYVTXEKQIFPKTR-UHFFFAOYSA-N
MW262.19 g/mol
LogP4.02
Rot. Bonds6

About 5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene

5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene (PubChem CID 89310137) has the molecular formula C10H12F6O and a molecular weight of 262.19 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene.

Molecular Properties

Compound Name5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene
PubChem CID89310137
Molecular FormulaC10H12F6O
Molecular Weight262.19 g/mol
Exact Mass262.08
IUPAC Name5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene
SMILESC=CCC(OC(CC=C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O/c1-3-5-7(9(11,12)13)17-8(6-4-2)10(14,15)16/h3-4,7-8H,1-2,5-6H2
InChIKeyLYVTXEKQIFPKTR-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene?
The IUPAC name of 5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene (CID 89310137) is 5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene.
What is the SMILES notation for 5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene?
The canonical SMILES for 5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene is C=CCC(OC(CC=C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene?
The InChIKey is LYVTXEKQIFPKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O/c1-3-5-7(9(11,12)13)17-8(6-4-2)10(14,15)16/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene?
5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene has a molecular weight of 262.19 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-(1,1,1-trifluoropent-4-en-2-yloxy)pent-1-ene is sourced from PubChem (CID 89310137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).