1-(trifluoromethyl)imidazolidine

C4H7F3N2 — CID 89114518

IUPAC1-(trifluoromethyl)imidazolidine
SMILESFC(F)(F)N1CCNC1
InChIInChI=1S/C4H7F3N2/c5-4(6,7)9-2-1-8-3-9/h8H,1-3H2
InChIKeyYJCJNJQWJHPZFJ-UHFFFAOYSA-N
MW140.11 g/mol
LogP0.37
Rot. Bonds

About 1-(trifluoromethyl)imidazolidine

1-(trifluoromethyl)imidazolidine (PubChem CID 89114518) has the molecular formula C4H7F3N2 and a molecular weight of 140.11 g/mol. Its IUPAC name is 1-(trifluoromethyl)imidazolidine.

Molecular Properties

Compound Name1-(trifluoromethyl)imidazolidine
PubChem CID89114518
Molecular FormulaC4H7F3N2
Molecular Weight140.11 g/mol
Exact Mass140.06
IUPAC Name1-(trifluoromethyl)imidazolidine
SMILESFC(F)(F)N1CCNC1
InChIInChI=1S/C4H7F3N2/c5-4(6,7)9-2-1-8-3-9/h8H,1-3H2
InChIKeyYJCJNJQWJHPZFJ-UHFFFAOYSA-N
XLogP0.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 50.37
H-Bond Donors ≤ 51
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 1-(trifluoromethyl)imidazolidine?
The IUPAC name of 1-(trifluoromethyl)imidazolidine (CID 89114518) is 1-(trifluoromethyl)imidazolidine.
What is the SMILES notation for 1-(trifluoromethyl)imidazolidine?
The canonical SMILES for 1-(trifluoromethyl)imidazolidine is FC(F)(F)N1CCNC1.
What is the InChIKey of 1-(trifluoromethyl)imidazolidine?
The InChIKey is YJCJNJQWJHPZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2/c5-4(6,7)9-2-1-8-3-9/h8H,1-3H2.
What are the key properties of 1-(trifluoromethyl)imidazolidine?
1-(trifluoromethyl)imidazolidine has a molecular weight of 140.11 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)imidazolidine is sourced from PubChem (CID 89114518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).