4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene

C8H3F11O — CID 175814323

IUPAC4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene
SMILESC=CC(OC(F)(F)C(F)=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H3F11O/c1-2-5(7(14,15)16,8(17,18)19)20-6(12,13)3(9)4(10)11/h2H,1H2
InChIKeyGPGXFWWRUHCARY-UHFFFAOYSA-N
MW324.09 g/mol
LogP4.72
Rot. Bonds4

About 4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene

4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene (PubChem CID 175814323) has the molecular formula C8H3F11O and a molecular weight of 324.09 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene
PubChem CID175814323
Molecular FormulaC8H3F11O
Molecular Weight324.09 g/mol
Exact Mass324.00
IUPAC Name4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene
SMILESC=CC(OC(F)(F)C(F)=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H3F11O/c1-2-5(7(14,15)16,8(17,18)19)20-6(12,13)3(9)4(10)11/h2H,1H2
InChIKeyGPGXFWWRUHCARY-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 54.72
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 4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene?
The IUPAC name of 4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene (CID 175814323) is 4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene?
The canonical SMILES for 4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene is C=CC(OC(F)(F)C(F)=C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene?
The InChIKey is GPGXFWWRUHCARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F11O/c1-2-5(7(14,15)16,8(17,18)19)20-6(12,13)3(9)4(10)11/h2H,1H2.
What are the key properties of 4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene?
4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene has a molecular weight of 324.09 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 175814323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).