2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine

C9H17F3N2O2 — CID 139932646

IUPAC2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine
SMILESCOCCN1CC(F)N(CCOC)C1(F)F
InChIInChI=1S/C9H17F3N2O2/c1-15-5-3-13-7-8(10)14(4-6-16-2)9(13,11)12/h8H,3-7H2,1-2H3
InChIKeyZQHPPVSEEHYHET-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.74
Rot. Bonds6

About 2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine

2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine (PubChem CID 139932646) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine.

Molecular Properties

Compound Name2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine
PubChem CID139932646
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine
SMILESCOCCN1CC(F)N(CCOC)C1(F)F
InChIInChI=1S/C9H17F3N2O2/c1-15-5-3-13-7-8(10)14(4-6-16-2)9(13,11)12/h8H,3-7H2,1-2H3
InChIKeyZQHPPVSEEHYHET-UHFFFAOYSA-N
XLogP0.74
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.74
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 2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine?
The IUPAC name of 2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine (CID 139932646) is 2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine.
What is the SMILES notation for 2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine?
The canonical SMILES for 2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine is COCCN1CC(F)N(CCOC)C1(F)F.
What is the InChIKey of 2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine?
The InChIKey is ZQHPPVSEEHYHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-15-5-3-13-7-8(10)14(4-6-16-2)9(13,11)12/h8H,3-7H2,1-2H3.
What are the key properties of 2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine?
2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine has a molecular weight of 242.24 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-1,3-bis(2-methoxyethyl)imidazolidine is sourced from PubChem (CID 139932646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).