2-(trifluoromethyl)imidazolidine;hydrochloride

C4H8ClF3N2 — CID 174747202

IUPAC2-(trifluoromethyl)imidazolidine;hydrochloride
SMILESCl.FC(F)(F)C1NCCN1
InChIInChI=1S/C4H7F3N2.ClH/c5-4(6,7)3-8-1-2-9-3;/h3,8-9H,1-2H2;1H
InChIKeyINAMGHWLDGBDEA-UHFFFAOYSA-N
MW176.57 g/mol
LogP0.49
Rot. Bonds

About 2-(trifluoromethyl)imidazolidine;hydrochloride

2-(trifluoromethyl)imidazolidine;hydrochloride (PubChem CID 174747202) has the molecular formula C4H8ClF3N2 and a molecular weight of 176.57 g/mol. Its IUPAC name is 2-(trifluoromethyl)imidazolidine;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)imidazolidine;hydrochloride
PubChem CID174747202
Molecular FormulaC4H8ClF3N2
Molecular Weight176.57 g/mol
Exact Mass176.03
IUPAC Name2-(trifluoromethyl)imidazolidine;hydrochloride
SMILESCl.FC(F)(F)C1NCCN1
InChIInChI=1S/C4H7F3N2.ClH/c5-4(6,7)3-8-1-2-9-3;/h3,8-9H,1-2H2;1H
InChIKeyINAMGHWLDGBDEA-UHFFFAOYSA-N
XLogP0.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.57
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 98041373
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CID 82595109
(2S)-2-(trifluoromethyl)azepane
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2-(trifluoromethyl)piperazin-4-ium
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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)imidazolidine;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)imidazolidine;hydrochloride (CID 174747202) is 2-(trifluoromethyl)imidazolidine;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)imidazolidine;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)imidazolidine;hydrochloride is Cl.FC(F)(F)C1NCCN1.
What is the InChIKey of 2-(trifluoromethyl)imidazolidine;hydrochloride?
The InChIKey is INAMGHWLDGBDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2.ClH/c5-4(6,7)3-8-1-2-9-3;/h3,8-9H,1-2H2;1H.
What are the key properties of 2-(trifluoromethyl)imidazolidine;hydrochloride?
2-(trifluoromethyl)imidazolidine;hydrochloride has a molecular weight of 176.57 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)imidazolidine;hydrochloride is sourced from PubChem (CID 174747202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).