2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine

C15H27F5N2O2 — CID 139932610

IUPAC2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine
SMILESCCC(C(C)OC)N1C(F)C(F)(F)N(C(CC)C(C)OC)C1(F)F
InChIInChI=1S/C15H27F5N2O2/c1-7-11(9(3)23-5)21-13(16)14(17,18)22(15(21,19)20)12(8-2)10(4)24-6/h9-13H,7-8H2,1-6H3
InChIKeyIFBDEFAZVQYZHD-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.67
Rot. Bonds8

About 2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine

2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine (PubChem CID 139932610) has the molecular formula C15H27F5N2O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine.

Molecular Properties

Compound Name2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine
PubChem CID139932610
Molecular FormulaC15H27F5N2O2
Molecular Weight362.38 g/mol
Exact Mass362.20
IUPAC Name2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine
SMILESCCC(C(C)OC)N1C(F)C(F)(F)N(C(CC)C(C)OC)C1(F)F
InChIInChI=1S/C15H27F5N2O2/c1-7-11(9(3)23-5)21-13(16)14(17,18)22(15(21,19)20)12(8-2)10(4)24-6/h9-13H,7-8H2,1-6H3
InChIKeyIFBDEFAZVQYZHD-UHFFFAOYSA-N
XLogP3.67
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine?
The IUPAC name of 2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine (CID 139932610) is 2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine.
What is the SMILES notation for 2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine?
The canonical SMILES for 2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine is CCC(C(C)OC)N1C(F)C(F)(F)N(C(CC)C(C)OC)C1(F)F.
What is the InChIKey of 2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine?
The InChIKey is IFBDEFAZVQYZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F5N2O2/c1-7-11(9(3)23-5)21-13(16)14(17,18)22(15(21,19)20)12(8-2)10(4)24-6/h9-13H,7-8H2,1-6H3.
What are the key properties of 2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine?
2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine has a molecular weight of 362.38 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5-pentafluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine is sourced from PubChem (CID 139932610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).