3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene

C7H5F7O — CID 162481654

IUPAC3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene
SMILESC=CC(F)(OC(F)(F)C(=C)F)C(F)(F)F
InChIInChI=1S/C7H5F7O/c1-3-5(9,7(12,13)14)15-6(10,11)4(2)8/h3H,1-2H2
InChIKeyOTDFBMKABONECA-UHFFFAOYSA-N
MW238.10 g/mol
LogP3.49
Rot. Bonds4

About 3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene

3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene (PubChem CID 162481654) has the molecular formula C7H5F7O and a molecular weight of 238.10 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene
PubChem CID162481654
Molecular FormulaC7H5F7O
Molecular Weight238.10 g/mol
Exact Mass238.02
IUPAC Name3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene
SMILESC=CC(F)(OC(F)(F)C(=C)F)C(F)(F)F
InChIInChI=1S/C7H5F7O/c1-3-5(9,7(12,13)14)15-6(10,11)4(2)8/h3H,1-2H2
InChIKeyOTDFBMKABONECA-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 53.49
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 3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene?
The IUPAC name of 3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene (CID 162481654) is 3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene.
What is the SMILES notation for 3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene?
The canonical SMILES for 3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene is C=CC(F)(OC(F)(F)C(=C)F)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene?
The InChIKey is OTDFBMKABONECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7O/c1-3-5(9,7(12,13)14)15-6(10,11)4(2)8/h3H,1-2H2.
What are the key properties of 3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene?
3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene has a molecular weight of 238.10 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)but-1-ene is sourced from PubChem (CID 162481654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).