3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene

C5H5F5O — CID 166591768

IUPAC3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene
SMILESC=CC(F)(OCF)C(F)(F)F
InChIInChI=1S/C5H5F5O/c1-2-4(7,11-3-6)5(8,9)10/h2H,1,3H2
InChIKeyTXFNPIORAPDFMG-UHFFFAOYSA-N
MW176.08 g/mol
LogP2.34
Rot. Bonds3

About 3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene

3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene (PubChem CID 166591768) has the molecular formula C5H5F5O and a molecular weight of 176.08 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene
PubChem CID166591768
Molecular FormulaC5H5F5O
Molecular Weight176.08 g/mol
Exact Mass176.03
IUPAC Name3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene
SMILESC=CC(F)(OCF)C(F)(F)F
InChIInChI=1S/C5H5F5O/c1-2-4(7,11-3-6)5(8,9)10/h2H,1,3H2
InChIKeyTXFNPIORAPDFMG-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 52.34
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-(fluoromethoxy)but-1-ene?
The IUPAC name of 3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene (CID 166591768) is 3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene.
What is the SMILES notation for 3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene?
The canonical SMILES for 3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene is C=CC(F)(OCF)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene?
The InChIKey is TXFNPIORAPDFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O/c1-2-4(7,11-3-6)5(8,9)10/h2H,1,3H2.
What are the key properties of 3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene?
3,4,4,4-tetrafluoro-3-(fluoromethoxy)but-1-ene has a molecular weight of 176.08 g/mol, XLogP of 2.34, 3 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-(fluoromethoxy)but-1-ene is sourced from PubChem (CID 166591768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).