4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine

C9H16BrClF2N2O2 — CID 139932608

IUPAC4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine
SMILESCOCCN1CC(Cl)(Br)N(CCOC)C1(F)F
InChIInChI=1S/C9H16BrClF2N2O2/c1-16-5-3-14-7-8(10,11)15(4-6-17-2)9(14,12)13/h3-7H2,1-2H3
InChIKeyATYJOCLAGCNYOV-UHFFFAOYSA-N
MW337.59 g/mol
LogP1.73
Rot. Bonds6

About 4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine

4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine (PubChem CID 139932608) has the molecular formula C9H16BrClF2N2O2 and a molecular weight of 337.59 g/mol. Its IUPAC name is 4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine.

Molecular Properties

Compound Name4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine
PubChem CID139932608
Molecular FormulaC9H16BrClF2N2O2
Molecular Weight337.59 g/mol
Exact Mass336.01
IUPAC Name4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine
SMILESCOCCN1CC(Cl)(Br)N(CCOC)C1(F)F
InChIInChI=1S/C9H16BrClF2N2O2/c1-16-5-3-14-7-8(10,11)15(4-6-17-2)9(14,12)13/h3-7H2,1-2H3
InChIKeyATYJOCLAGCNYOV-UHFFFAOYSA-N
XLogP1.73
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 51.73
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-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine?
The IUPAC name of 4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine (CID 139932608) is 4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine.
What is the SMILES notation for 4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine?
The canonical SMILES for 4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine is COCCN1CC(Cl)(Br)N(CCOC)C1(F)F.
What is the InChIKey of 4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine?
The InChIKey is ATYJOCLAGCNYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrClF2N2O2/c1-16-5-3-14-7-8(10,11)15(4-6-17-2)9(14,12)13/h3-7H2,1-2H3.
What are the key properties of 4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine?
4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine has a molecular weight of 337.59 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-4-chloro-2,2-difluoro-1,3-bis(2-methoxyethyl)imidazolidine is sourced from PubChem (CID 139932608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).