4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine

C11H21BrF2N2O2 — CID 139932628

IUPAC4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine
SMILESCOCCN1C(C)C(C)(Br)N(CCOC)C1(F)F
InChIInChI=1S/C11H21BrF2N2O2/c1-9-10(2,12)16(6-8-18-4)11(13,14)15(9)5-7-17-3/h9H,5-8H2,1-4H3
InChIKeyKSFFJIQTCINNQY-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.95
Rot. Bonds6

About 4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine

4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine (PubChem CID 139932628) has the molecular formula C11H21BrF2N2O2 and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine.

Molecular Properties

Compound Name4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine
PubChem CID139932628
Molecular FormulaC11H21BrF2N2O2
Molecular Weight331.20 g/mol
Exact Mass330.08
IUPAC Name4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine
SMILESCOCCN1C(C)C(C)(Br)N(CCOC)C1(F)F
InChIInChI=1S/C11H21BrF2N2O2/c1-9-10(2,12)16(6-8-18-4)11(13,14)15(9)5-7-17-3/h9H,5-8H2,1-4H3
InChIKeyKSFFJIQTCINNQY-UHFFFAOYSA-N
XLogP1.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine?
The IUPAC name of 4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine (CID 139932628) is 4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine.
What is the SMILES notation for 4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine?
The canonical SMILES for 4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine is COCCN1C(C)C(C)(Br)N(CCOC)C1(F)F.
What is the InChIKey of 4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine?
The InChIKey is KSFFJIQTCINNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrF2N2O2/c1-9-10(2,12)16(6-8-18-4)11(13,14)15(9)5-7-17-3/h9H,5-8H2,1-4H3.
What are the key properties of 4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine?
4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine has a molecular weight of 331.20 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,2-difluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidine is sourced from PubChem (CID 139932628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).