4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine

C12H24F2N2O2 — CID 139932597

IUPAC4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine
SMILESCCC1(C)CN(CCOC)C(F)(F)N1CCOC
InChIInChI=1S/C12H24F2N2O2/c1-5-11(2)10-15(6-8-17-3)12(13,14)16(11)7-9-18-4/h5-10H2,1-4H3
InChIKeyIMRRVCFVVWDOBG-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.62
Rot. Bonds7

About 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine

4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine (PubChem CID 139932597) has the molecular formula C12H24F2N2O2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine.

Molecular Properties

Compound Name4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine
PubChem CID139932597
Molecular FormulaC12H24F2N2O2
Molecular Weight266.33 g/mol
Exact Mass266.18
IUPAC Name4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine
SMILESCCC1(C)CN(CCOC)C(F)(F)N1CCOC
InChIInChI=1S/C12H24F2N2O2/c1-5-11(2)10-15(6-8-17-3)12(13,14)16(11)7-9-18-4/h5-10H2,1-4H3
InChIKeyIMRRVCFVVWDOBG-UHFFFAOYSA-N
XLogP1.62
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.62
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-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine?
The IUPAC name of 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine (CID 139932597) is 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine.
What is the SMILES notation for 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine?
The canonical SMILES for 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine is CCC1(C)CN(CCOC)C(F)(F)N1CCOC.
What is the InChIKey of 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine?
The InChIKey is IMRRVCFVVWDOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2/c1-5-11(2)10-15(6-8-17-3)12(13,14)16(11)7-9-18-4/h5-10H2,1-4H3.
What are the key properties of 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine?
4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine has a molecular weight of 266.33 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-difluoro-1,3-bis(2-methoxyethyl)-4-methylimidazolidine is sourced from PubChem (CID 139932597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).