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

C23H46F2N2O2 — CID 139932621

IUPAC4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine
SMILESCCC(C(C)OC)N1C(F)(F)N(C(CC)C(C)OC)C(CC)(CC)C1(CC)CC
InChIInChI=1S/C23H46F2N2O2/c1-11-19(17(7)28-9)26-21(13-3,14-4)22(15-5,16-6)27(23(26,24)25)20(12-2)18(8)29-10/h17-20H,11-16H2,1-10H3
InChIKeySWZVCFAVJJHXBT-UHFFFAOYSA-N
MW420.63 g/mol
LogP5.90
Rot. Bonds12

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

4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine (PubChem CID 139932621) has the molecular formula C23H46F2N2O2 and a molecular weight of 420.63 g/mol. Its IUPAC name is 4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine.

Molecular Properties

Compound Name4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine
PubChem CID139932621
Molecular FormulaC23H46F2N2O2
Molecular Weight420.63 g/mol
Exact Mass420.35
IUPAC Name4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine
SMILESCCC(C(C)OC)N1C(F)(F)N(C(CC)C(C)OC)C(CC)(CC)C1(CC)CC
InChIInChI=1S/C23H46F2N2O2/c1-11-19(17(7)28-9)26-21(13-3,14-4)22(15-5,16-6)27(23(26,24)25)20(12-2)18(8)29-10/h17-20H,11-16H2,1-10H3
InChIKeySWZVCFAVJJHXBT-UHFFFAOYSA-N
XLogP5.90
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.63
LogP ≤ 55.90
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 4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine?
The IUPAC name of 4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine (CID 139932621) is 4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine.
What is the SMILES notation for 4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine?
The canonical SMILES for 4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine is CCC(C(C)OC)N1C(F)(F)N(C(CC)C(C)OC)C(CC)(CC)C1(CC)CC.
What is the InChIKey of 4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine?
The InChIKey is SWZVCFAVJJHXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46F2N2O2/c1-11-19(17(7)28-9)26-21(13-3,14-4)22(15-5,16-6)27(23(26,24)25)20(12-2)18(8)29-10/h17-20H,11-16H2,1-10H3.
What are the key properties of 4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine?
4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine has a molecular weight of 420.63 g/mol, XLogP of 5.90, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetraethyl-2,2-difluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidine is sourced from PubChem (CID 139932621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).