2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine

C7H4F12N2O — CID 139932643

IUPAC2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine
SMILESFC(F)(F)OC(F)(F)C(F)(F)N1CCN(C(F)(F)F)C1(F)F
InChIInChI=1S/C7H4F12N2O/c8-3(9,4(10,11)22-6(15,16)17)20-1-2-21(5(12,13)14)7(20,18)19/h1-2H2
InChIKeyVRHDSWADMZMGLZ-UHFFFAOYSA-N
MW360.10 g/mol
LogP3.40
Rot. Bonds3

About 2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine

2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine (PubChem CID 139932643) has the molecular formula C7H4F12N2O and a molecular weight of 360.10 g/mol. Its IUPAC name is 2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine
PubChem CID139932643
Molecular FormulaC7H4F12N2O
Molecular Weight360.10 g/mol
Exact Mass360.01
IUPAC Name2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine
SMILESFC(F)(F)OC(F)(F)C(F)(F)N1CCN(C(F)(F)F)C1(F)F
InChIInChI=1S/C7H4F12N2O/c8-3(9,4(10,11)22-6(15,16)17)20-1-2-21(5(12,13)14)7(20,18)19/h1-2H2
InChIKeyVRHDSWADMZMGLZ-UHFFFAOYSA-N
XLogP3.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.10
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonic acid
CID 139597355
1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane
CID 11463803
2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol
CID 66573360
2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine
CID 139932612
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-11-(trifluoromethoxy)undecane-1-sulfonic acid
CID 165364498
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride
CID 165365650
lithium;hydride;trifluoro(trifluoromethoxy)methane
CID 175091169
2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride
CID 175723871
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluoro-13-(trifluoromethoxy)tridecanoic acid
CID 139595749
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane
CID 12829603
1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane
CID 159201056
2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine
CID 137440891

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine?
The IUPAC name of 2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine (CID 139932643) is 2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine.
What is the SMILES notation for 2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine?
The canonical SMILES for 2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine is FC(F)(F)OC(F)(F)C(F)(F)N1CCN(C(F)(F)F)C1(F)F.
What is the InChIKey of 2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine?
The InChIKey is VRHDSWADMZMGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12N2O/c8-3(9,4(10,11)22-6(15,16)17)20-1-2-21(5(12,13)14)7(20,18)19/h1-2H2.
What are the key properties of 2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine?
2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine has a molecular weight of 360.10 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethyl]-3-(trifluoromethyl)imidazolidine is sourced from PubChem (CID 139932643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).