1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane

C6H3F9O2 — CID 87136881

IUPAC1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane
SMILESC=COC(F)(OC(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F9O2/c1-2-16-5(12,17-6(13,14)15)3(7,8)4(9,10)11/h2H,1H2
InChIKeyNRWWACMRCKJKIT-UHFFFAOYSA-N
MW278.07 g/mol
LogP3.50
Rot. Bonds4

About 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane

1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane (PubChem CID 87136881) has the molecular formula C6H3F9O2 and a molecular weight of 278.07 g/mol. Its IUPAC name is 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane
PubChem CID87136881
Molecular FormulaC6H3F9O2
Molecular Weight278.07 g/mol
Exact Mass278.00
IUPAC Name1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane
SMILESC=COC(F)(OC(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F9O2/c1-2-16-5(12,17-6(13,14)15)3(7,8)4(9,10)11/h2H,1H2
InChIKeyNRWWACMRCKJKIT-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.07
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxole, 2,2-bis(trifluoromethyl)-
CID 9815665
(E)-1-[difluoro-[(E)-2-fluoroethenoxy]methoxy]-2-fluoroethene
CID 19708223
1,3-Dioxole, 4-fluoro-2,2-bis(trifluoromethyl)-
CID 20271515
2-(Trifluoromethoxy)-1,3-dioxole
CID 22261296
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
1-[Ethenoxy(1,2,2-trifluoroethenoxy)methoxy]-1,2,2-trifluoroethene
CID 58195615

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane?
The IUPAC name of 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane (CID 87136881) is 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane.
What is the SMILES notation for 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane?
The canonical SMILES for 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane is C=COC(F)(OC(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane?
The InChIKey is NRWWACMRCKJKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F9O2/c1-2-16-5(12,17-6(13,14)15)3(7,8)4(9,10)11/h2H,1H2.
What are the key properties of 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane?
1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane has a molecular weight of 278.07 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,2,2,3,3,3-hexafluoro-1-(trifluoromethoxy)propane is sourced from PubChem (CID 87136881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).