(E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene

C4H2F6O — CID 155213635

IUPAC(E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene
SMILESF/C(=C/OC(F)F)C(F)(F)F
InChIInChI=1S/C4H2F6O/c5-2(4(8,9)10)1-11-3(6)7/h1,3H/b2-1+
InChIKeyIJSXLHMMOOKVEI-OWOJBTEDSA-N
MW180.05 g/mol
LogP2.60
Rot. Bonds2

About (E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene

(E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene (PubChem CID 155213635) has the molecular formula C4H2F6O and a molecular weight of 180.05 g/mol. Its IUPAC name is (E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene.

Molecular Properties

Compound Name(E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene
PubChem CID155213635
Molecular FormulaC4H2F6O
Molecular Weight180.05 g/mol
Exact Mass180.00
IUPAC Name(E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene
SMILESF/C(=C/OC(F)F)C(F)(F)F
InChIInChI=1S/C4H2F6O/c5-2(4(8,9)10)1-11-3(6)7/h1,3H/b2-1+
InChIKeyIJSXLHMMOOKVEI-OWOJBTEDSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene?
The IUPAC name of (E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene (CID 155213635) is (E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene.
What is the SMILES notation for (E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene?
The canonical SMILES for (E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene is F/C(=C/OC(F)F)C(F)(F)F.
What is the InChIKey of (E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene?
The InChIKey is IJSXLHMMOOKVEI-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H2F6O/c5-2(4(8,9)10)1-11-3(6)7/h1,3H/b2-1+.
What are the key properties of (E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene?
(E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene has a molecular weight of 180.05 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(difluoromethoxy)-2,3,3,3-tetrafluoroprop-1-ene is sourced from PubChem (CID 155213635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).