2-benzyl-2,4,4,5,5-pentafluoroimidazolidine

C10H9F5N2 — CID 141423458

IUPAC2-benzyl-2,4,4,5,5-pentafluoroimidazolidine
SMILESFC1(Cc2ccccc2)NC(F)(F)C(F)(F)N1
InChIInChI=1S/C10H9F5N2/c11-8(6-7-4-2-1-3-5-7)16-9(12,13)10(14,15)17-8/h1-5,16-17H,6H2
InChIKeyATGUFCKFIIBZGE-UHFFFAOYSA-N
MW252.19 g/mol
LogP2.23
Rot. Bonds2

About 2-benzyl-2,4,4,5,5-pentafluoroimidazolidine

2-benzyl-2,4,4,5,5-pentafluoroimidazolidine (PubChem CID 141423458) has the molecular formula C10H9F5N2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2-benzyl-2,4,4,5,5-pentafluoroimidazolidine.

Molecular Properties

Compound Name2-benzyl-2,4,4,5,5-pentafluoroimidazolidine
PubChem CID141423458
Molecular FormulaC10H9F5N2
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name2-benzyl-2,4,4,5,5-pentafluoroimidazolidine
SMILESFC1(Cc2ccccc2)NC(F)(F)C(F)(F)N1
InChIInChI=1S/C10H9F5N2/c11-8(6-7-4-2-1-3-5-7)16-9(12,13)10(14,15)17-8/h1-5,16-17H,6H2
InChIKeyATGUFCKFIIBZGE-UHFFFAOYSA-N
XLogP2.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-benzyl-2,4,4,5,5-pentafluoroimidazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-4-fluoropiperidine;ethane
CID 154662481
benzyl(pentafluoro)-λ6-sulfane
CID 87842882
3-benzyl-5,5-difluoro-3-methyl-1,4,2-dioxazolidine
CID 166468732
4-benzyl-4-fluorothiane
CID 84723196
4,4-dibenzyl-3,3-difluorooxetan-2-one
CID 10039731
(3R)-3-benzyl-3-fluoro-1H-quinoline-2,4-dione
CID 825188
(1-benzylcyclopropyl)methanediol
CID 145135288
2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
CID 174859791
3-benzylazetidin-3-ol;hydrochloride
CID 67974163
(5S)-5-benzyl-2,2,5-trimethylimidazolidin-4-one
CID 59884024
3-benzyl-3-phenylpyrrolidine-2,5-dione
CID 2843283
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2,4,4,5,5-pentafluoroimidazolidine?
The IUPAC name of 2-benzyl-2,4,4,5,5-pentafluoroimidazolidine (CID 141423458) is 2-benzyl-2,4,4,5,5-pentafluoroimidazolidine.
What is the SMILES notation for 2-benzyl-2,4,4,5,5-pentafluoroimidazolidine?
The canonical SMILES for 2-benzyl-2,4,4,5,5-pentafluoroimidazolidine is FC1(Cc2ccccc2)NC(F)(F)C(F)(F)N1.
What is the InChIKey of 2-benzyl-2,4,4,5,5-pentafluoroimidazolidine?
The InChIKey is ATGUFCKFIIBZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2/c11-8(6-7-4-2-1-3-5-7)16-9(12,13)10(14,15)17-8/h1-5,16-17H,6H2.
What are the key properties of 2-benzyl-2,4,4,5,5-pentafluoroimidazolidine?
2-benzyl-2,4,4,5,5-pentafluoroimidazolidine has a molecular weight of 252.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,4,4,5,5-pentafluoroimidazolidine is sourced from PubChem (CID 141423458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).