4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one

C15H20F10N2O3 — CID 139925740

IUPAC4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one
SMILESCCC(C(C)OC(F)(F)F)N1C(=O)N(C(CC)C(C)OC(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C15H20F10N2O3/c1-5-9(7(3)29-14(20,21)22)26-11(28)27(13(18,19)12(26,16)17)10(6-2)8(4)30-15(23,24)25/h7-10H,5-6H2,1-4H3
InChIKeyLTJSBFBDTUULMT-UHFFFAOYSA-N
MW466.32 g/mol
LogP5.32
Rot. Bonds8

About 4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one

4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one (PubChem CID 139925740) has the molecular formula C15H20F10N2O3 and a molecular weight of 466.32 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one
PubChem CID139925740
Molecular FormulaC15H20F10N2O3
Molecular Weight466.32 g/mol
Exact Mass466.13
IUPAC Name4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one
SMILESCCC(C(C)OC(F)(F)F)N1C(=O)N(C(CC)C(C)OC(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C15H20F10N2O3/c1-5-9(7(3)29-14(20,21)22)26-11(28)27(13(18,19)12(26,16)17)10(6-2)8(4)30-15(23,24)25/h7-10H,5-6H2,1-4H3
InChIKeyLTJSBFBDTUULMT-UHFFFAOYSA-N
XLogP5.32
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.32
LogP ≤ 55.32
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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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one?
The IUPAC name of 4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one (CID 139925740) is 4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one.
What is the SMILES notation for 4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one?
The canonical SMILES for 4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one is CCC(C(C)OC(F)(F)F)N1C(=O)N(C(CC)C(C)OC(F)(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one?
The InChIKey is LTJSBFBDTUULMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F10N2O3/c1-5-9(7(3)29-14(20,21)22)26-11(28)27(13(18,19)12(26,16)17)10(6-2)8(4)30-15(23,24)25/h7-10H,5-6H2,1-4H3.
What are the key properties of 4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one?
4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one has a molecular weight of 466.32 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one is sourced from PubChem (CID 139925740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).