2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine

C21H40F4N2O2 — CID 139932641

IUPAC2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine
SMILESCCCC1(CCC)N(C(F)COC)C(F)(F)N(C(F)COC)C1(CCC)CCC
InChIInChI=1S/C21H40F4N2O2/c1-7-11-19(12-8-2)20(13-9-3,14-10-4)27(18(23)16-29-6)21(24,25)26(19)17(22)15-28-5/h17-18H,7-16H2,1-6H3
InChIKeyUKEIAFKDHUYCKJ-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.72
Rot. Bonds14

About 2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine

2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine (PubChem CID 139932641) has the molecular formula C21H40F4N2O2 and a molecular weight of 428.56 g/mol. Its IUPAC name is 2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine
PubChem CID139932641
Molecular FormulaC21H40F4N2O2
Molecular Weight428.56 g/mol
Exact Mass428.30
IUPAC Name2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine
SMILESCCCC1(CCC)N(C(F)COC)C(F)(F)N(C(F)COC)C1(CCC)CCC
InChIInChI=1S/C21H40F4N2O2/c1-7-11-19(12-8-2)20(13-9-3,14-10-4)27(18(23)16-29-6)21(24,25)26(19)17(22)15-28-5/h17-18H,7-16H2,1-6H3
InChIKeyUKEIAFKDHUYCKJ-UHFFFAOYSA-N
XLogP5.72
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.72
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-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine?
The IUPAC name of 2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine (CID 139932641) is 2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine.
What is the SMILES notation for 2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine?
The canonical SMILES for 2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine is CCCC1(CCC)N(C(F)COC)C(F)(F)N(C(F)COC)C1(CCC)CCC.
What is the InChIKey of 2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine?
The InChIKey is UKEIAFKDHUYCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40F4N2O2/c1-7-11-19(12-8-2)20(13-9-3,14-10-4)27(18(23)16-29-6)21(24,25)26(19)17(22)15-28-5/h17-18H,7-16H2,1-6H3.
What are the key properties of 2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine?
2,2-difluoro-1,3-bis(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine has a molecular weight of 428.56 g/mol, XLogP of 5.72, 14 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(1-fluoro-2-methoxyethyl)-4,4,5,5-tetrapropylimidazolidine is sourced from PubChem (CID 139932641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).