(Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene

C5H4F6O3 — CID 89357376

IUPAC(Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene
SMILESCO/C(F)=C(\OC(F)F)OC(F)(F)F
InChIInChI=1S/C5H4F6O3/c1-12-2(6)3(13-4(7)8)14-5(9,10)11/h4H,1H3/b3-2+
InChIKeyKTOMXSXBTPTHMF-NSCUHMNNSA-N
MW226.07 g/mol
LogP2.50
Rot. Bonds4

About (Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene

(Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene (PubChem CID 89357376) has the molecular formula C5H4F6O3 and a molecular weight of 226.07 g/mol. Its IUPAC name is (Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene.

Molecular Properties

Compound Name(Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene
PubChem CID89357376
Molecular FormulaC5H4F6O3
Molecular Weight226.07 g/mol
Exact Mass226.01
IUPAC Name(Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene
SMILESCO/C(F)=C(\OC(F)F)OC(F)(F)F
InChIInChI=1S/C5H4F6O3/c1-12-2(6)3(13-4(7)8)14-5(9,10)11/h4H,1H3/b3-2+
InChIKeyKTOMXSXBTPTHMF-NSCUHMNNSA-N
XLogP2.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene?
The IUPAC name of (Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene (CID 89357376) is (Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene.
What is the SMILES notation for (Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene?
The canonical SMILES for (Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene is CO/C(F)=C(\OC(F)F)OC(F)(F)F.
What is the InChIKey of (Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene?
The InChIKey is KTOMXSXBTPTHMF-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H4F6O3/c1-12-2(6)3(13-4(7)8)14-5(9,10)11/h4H,1H3/b3-2+.
What are the key properties of (Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene?
(Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene has a molecular weight of 226.07 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(difluoromethoxy)-2-fluoro-2-methoxy-1-(trifluoromethoxy)ethene is sourced from PubChem (CID 89357376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).