2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine

C9H12F8N2O2 — CID 139932612

IUPAC2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine
SMILESFC(F)(F)OCCN1CCN(CCOC(F)(F)F)C1(F)F
InChIInChI=1S/C9H12F8N2O2/c10-7(11,12)20-5-3-18-1-2-19(9(18,16)17)4-6-21-8(13,14)15/h1-6H2
InChIKeyCMPMVLJBWJSHJO-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.23
Rot. Bonds6

About 2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine

2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine (PubChem CID 139932612) has the molecular formula C9H12F8N2O2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine
PubChem CID139932612
Molecular FormulaC9H12F8N2O2
Molecular Weight332.19 g/mol
Exact Mass332.08
IUPAC Name2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine
SMILESFC(F)(F)OCCN1CCN(CCOC(F)(F)F)C1(F)F
InChIInChI=1S/C9H12F8N2O2/c10-7(11,12)20-5-3-18-1-2-19(9(18,16)17)4-6-21-8(13,14)15/h1-6H2
InChIKeyCMPMVLJBWJSHJO-UHFFFAOYSA-N
XLogP2.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.23
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[2-(trifluoromethoxy)ethyl]imidazolidine?
The IUPAC name of 2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine (CID 139932612) is 2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine.
What is the SMILES notation for 2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine?
The canonical SMILES for 2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine is FC(F)(F)OCCN1CCN(CCOC(F)(F)F)C1(F)F.
What is the InChIKey of 2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine?
The InChIKey is CMPMVLJBWJSHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F8N2O2/c10-7(11,12)20-5-3-18-1-2-19(9(18,16)17)4-6-21-8(13,14)15/h1-6H2.
What are the key properties of 2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine?
2,2-difluoro-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidine has a molecular weight of 332.19 g/mol, XLogP of 2.23, 6 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[2-(trifluoromethoxy)ethyl]imidazolidine is sourced from PubChem (CID 139932612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).