2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine

C17H19F17N2O2 — CID 139932629

IUPAC2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine
SMILESCOC(C)CN1C(C(F)(F)C(F)(F)F)C(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)N(CC(C)OC)C1(F)F
InChIInChI=1S/C17H19F17N2O2/c1-7(37-3)5-35-9(11(18,19)14(24,25)26)10(12(20,21)15(27,28)29,13(22,23)16(30,31)32)36(17(35,33)34)6-8(2)38-4/h7-9H,5-6H2,1-4H3
InChIKeyUSIUYMAGSQCSJP-UHFFFAOYSA-N
MW606.32 g/mol
LogP5.92
Rot. Bonds9

About 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine

2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine (PubChem CID 139932629) has the molecular formula C17H19F17N2O2 and a molecular weight of 606.32 g/mol. Its IUPAC name is 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine
PubChem CID139932629
Molecular FormulaC17H19F17N2O2
Molecular Weight606.32 g/mol
Exact Mass606.12
IUPAC Name2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine
SMILESCOC(C)CN1C(C(F)(F)C(F)(F)F)C(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)N(CC(C)OC)C1(F)F
InChIInChI=1S/C17H19F17N2O2/c1-7(37-3)5-35-9(11(18,19)14(24,25)26)10(12(20,21)15(27,28)29,13(22,23)16(30,31)32)36(17(35,33)34)6-8(2)38-4/h7-9H,5-6H2,1-4H3
InChIKeyUSIUYMAGSQCSJP-UHFFFAOYSA-N
XLogP5.92
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.32
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine?
The IUPAC name of 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine (CID 139932629) is 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine.
What is the SMILES notation for 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine?
The canonical SMILES for 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine is COC(C)CN1C(C(F)(F)C(F)(F)F)C(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)N(CC(C)OC)C1(F)F.
What is the InChIKey of 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine?
The InChIKey is USIUYMAGSQCSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F17N2O2/c1-7(37-3)5-35-9(11(18,19)14(24,25)26)10(12(20,21)15(27,28)29,13(22,23)16(30,31)32)36(17(35,33)34)6-8(2)38-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine?
2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine has a molecular weight of 606.32 g/mol, XLogP of 5.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidine is sourced from PubChem (CID 139932629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).