2-fluoro-1,3-di(propan-2-yl)imidazolidine

C9H19FN2 — CID 70243177

IUPAC2-fluoro-1,3-di(propan-2-yl)imidazolidine
SMILESCC(C)N1CCN(C(C)C)C1F
InChIInChI=1S/C9H19FN2/c1-7(2)11-5-6-12(8(3)4)9(11)10/h7-9H,5-6H2,1-4H3
InChIKeyYMKREYFAMOMYLO-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.67
Rot. Bonds2

About 2-fluoro-1,3-di(propan-2-yl)imidazolidine

2-fluoro-1,3-di(propan-2-yl)imidazolidine (PubChem CID 70243177) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-fluoro-1,3-di(propan-2-yl)imidazolidine.

Molecular Properties

Compound Name2-fluoro-1,3-di(propan-2-yl)imidazolidine
PubChem CID70243177
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name2-fluoro-1,3-di(propan-2-yl)imidazolidine
SMILESCC(C)N1CCN(C(C)C)C1F
InChIInChI=1S/C9H19FN2/c1-7(2)11-5-6-12(8(3)4)9(11)10/h7-9H,5-6H2,1-4H3
InChIKeyYMKREYFAMOMYLO-UHFFFAOYSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluoro-1,3-di(propan-2-yl)imidazolidine?
The IUPAC name of 2-fluoro-1,3-di(propan-2-yl)imidazolidine (CID 70243177) is 2-fluoro-1,3-di(propan-2-yl)imidazolidine.
What is the SMILES notation for 2-fluoro-1,3-di(propan-2-yl)imidazolidine?
The canonical SMILES for 2-fluoro-1,3-di(propan-2-yl)imidazolidine is CC(C)N1CCN(C(C)C)C1F.
What is the InChIKey of 2-fluoro-1,3-di(propan-2-yl)imidazolidine?
The InChIKey is YMKREYFAMOMYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-7(2)11-5-6-12(8(3)4)9(11)10/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-fluoro-1,3-di(propan-2-yl)imidazolidine?
2-fluoro-1,3-di(propan-2-yl)imidazolidine has a molecular weight of 174.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-di(propan-2-yl)imidazolidine is sourced from PubChem (CID 70243177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).