1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane

C7F12O3 — CID 89327475

IUPAC1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane
SMILESFC(F)=C(F)OC(F)(OC(F)=C(F)F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7F12O3/c8-1(9)3(12)20-6(16,21-4(13)2(10)11)5(14,15)22-7(17,18)19
InChIKeyKMZXOPHGDNAALC-UHFFFAOYSA-N
MW360.05 g/mol
LogP4.84
Rot. Bonds6

About 1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane

1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane (PubChem CID 89327475) has the molecular formula C7F12O3 and a molecular weight of 360.05 g/mol. Its IUPAC name is 1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane
PubChem CID89327475
Molecular FormulaC7F12O3
Molecular Weight360.05 g/mol
Exact Mass359.97
IUPAC Name1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane
SMILESFC(F)=C(F)OC(F)(OC(F)=C(F)F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C7F12O3/c8-1(9)3(12)20-6(16,21-4(13)2(10)11)5(14,15)22-7(17,18)19
InChIKeyKMZXOPHGDNAALC-UHFFFAOYSA-N
XLogP4.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dioxole, 2,2,4-trifluoro-5-(trifluoromethoxy)-
CID 9837206
1-[Difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
CID 71405026
1,1'-((1,1,2,2-Tetrafluoroethylene)bis(oxy))bis(1,2,2-trifluoroethylene)
CID 74815
1,1'-((Difluoromethylene)bis(oxy))bis(1,2,2-trifluoroethylene)
CID 83770
1-[Difluoro(pentafluoroethoxy)methoxy]-1,2,2-trifluoroethene
CID 15515048
Perfluoro[(2-methoxyethoxy)methoxy]ethene
CID 87579205
2-(Difluoromethylene)-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 22283745
2,2,4,5-Tetrafluoro-1,3-dioxole;1,1,2,2-tetrafluoroethene
CID 130234351
Ethene, 1,1,2-trifluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-
CID 11196785
1,1,2,2-Tetrafluoroethene;2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxole
CID 158663025
1-[[[Difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-1,2,2-trifluoroethene
CID 11046707
Fomblin z-15
CID 12837400

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane?
The IUPAC name of 1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane (CID 89327475) is 1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane.
What is the SMILES notation for 1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane?
The canonical SMILES for 1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane is FC(F)=C(F)OC(F)(OC(F)=C(F)F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane?
The InChIKey is KMZXOPHGDNAALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12O3/c8-1(9)3(12)20-6(16,21-4(13)2(10)11)5(14,15)22-7(17,18)19.
What are the key properties of 1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane?
1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane has a molecular weight of 360.05 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2,2-bis(1,2,2-trifluoroethenoxy)-1-(trifluoromethoxy)ethane is sourced from PubChem (CID 89327475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).