(E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene

C5H5F5O3 — CID 88591837

IUPAC(E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene
SMILESCO/C(=C\OC(F)F)OC(F)(F)F
InChIInChI=1S/C5H5F5O3/c1-11-3(2-12-4(6)7)13-5(8,9)10/h2,4H,1H3/b3-2+
InChIKeyLXOQDTLQZSCJOD-NSCUHMNNSA-N
MW208.08 g/mol
LogP2.21
Rot. Bonds4

About (E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene

(E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene (PubChem CID 88591837) has the molecular formula C5H5F5O3 and a molecular weight of 208.08 g/mol. Its IUPAC name is (E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene.

Molecular Properties

Compound Name(E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene
PubChem CID88591837
Molecular FormulaC5H5F5O3
Molecular Weight208.08 g/mol
Exact Mass208.02
IUPAC Name(E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene
SMILESCO/C(=C\OC(F)F)OC(F)(F)F
InChIInChI=1S/C5H5F5O3/c1-11-3(2-12-4(6)7)13-5(8,9)10/h2,4H,1H3/b3-2+
InChIKeyLXOQDTLQZSCJOD-NSCUHMNNSA-N
XLogP2.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.08
LogP ≤ 52.21
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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Related Compounds

(E)-1-[difluoro-[(E)-2-fluoroethenoxy]methoxy]-2-fluoroethene
CID 19708223
2-[Bis(2,2-difluoroethenoxy)methoxy]-1,1-difluoroethene
CID 23568268
1-{Difluoro[(2-fluoroethenyl)oxy]methoxy}-2-fluoroethene
CID 53867191
1,1-Bis(2,2-difluoroethenoxy)-1,2,2,2-tetrafluoroethane
CID 57591523
1,1-Bis(2,2-difluoroethenoxy)-1,2,2,3,3,3-hexafluoropropane
CID 57591528
1,1,4,4,7,7-Hexafluoro-3,5-dioxa-1,6-heptadiene
CID 57591542
2,2-Bis(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoropropane
CID 57591547
1,1-Bis(2,2-difluoroethenoxy)-1,2,2-trifluoro-2-(trifluoromethoxy)ethane
CID 57591563
2-Methyl-4-(trifluoromethoxy)-2-(trifluoromethyl)-1,3-dioxole
CID 58122665
1-[Ethenoxy(1,2,2-trifluoroethenoxy)methoxy]-1,2,2-trifluoroethene
CID 58195615
1-Ethoxy-2,2-difluoro-1-(fluoromethoxy)ethene
CID 58637715
1,1-Difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene
CID 58927003

Frequently Asked Questions

What is the IUPAC name of (E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene?
The IUPAC name of (E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene (CID 88591837) is (E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene.
What is the SMILES notation for (E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene?
The canonical SMILES for (E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene is CO/C(=C\OC(F)F)OC(F)(F)F.
What is the InChIKey of (E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene?
The InChIKey is LXOQDTLQZSCJOD-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H5F5O3/c1-11-3(2-12-4(6)7)13-5(8,9)10/h2,4H,1H3/b3-2+.
What are the key properties of (E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene?
(E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene has a molecular weight of 208.08 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(difluoromethoxy)-1-methoxy-1-(trifluoromethoxy)ethene is sourced from PubChem (CID 88591837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).