(4S)-4-(trifluoromethyl)imidazolidin-2-one

C4H5F3N2O — CID 91927657

IUPAC(4S)-4-(trifluoromethyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](C(F)(F)F)N1
InChIInChI=1S/C4H5F3N2O/c5-4(6,7)2-1-8-3(10)9-2/h2H,1H2,(H2,8,9,10)/t2-/m0/s1
InChIKeyGBVKRAICTVOHIY-REOHCLBHSA-N
MW154.09 g/mol
LogP0.23
Rot. Bonds

About (4S)-4-(trifluoromethyl)imidazolidin-2-one

(4S)-4-(trifluoromethyl)imidazolidin-2-one (PubChem CID 91927657) has the molecular formula C4H5F3N2O and a molecular weight of 154.09 g/mol. Its IUPAC name is (4S)-4-(trifluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(trifluoromethyl)imidazolidin-2-one
PubChem CID91927657
Molecular FormulaC4H5F3N2O
Molecular Weight154.09 g/mol
Exact Mass154.04
IUPAC Name(4S)-4-(trifluoromethyl)imidazolidin-2-one
SMILESO=C1NC[C@@H](C(F)(F)F)N1
InChIInChI=1S/C4H5F3N2O/c5-4(6,7)2-1-8-3(10)9-2/h2H,1H2,(H2,8,9,10)/t2-/m0/s1
InChIKeyGBVKRAICTVOHIY-REOHCLBHSA-N
XLogP0.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(trifluoromethyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(trifluoromethyl)imidazolidin-2-one (CID 91927657) is (4S)-4-(trifluoromethyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(trifluoromethyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(trifluoromethyl)imidazolidin-2-one is O=C1NC[C@@H](C(F)(F)F)N1.
What is the InChIKey of (4S)-4-(trifluoromethyl)imidazolidin-2-one?
The InChIKey is GBVKRAICTVOHIY-REOHCLBHSA-N. The full InChI is InChI=1S/C4H5F3N2O/c5-4(6,7)2-1-8-3(10)9-2/h2H,1H2,(H2,8,9,10)/t2-/m0/s1.
What are the key properties of (4S)-4-(trifluoromethyl)imidazolidin-2-one?
(4S)-4-(trifluoromethyl)imidazolidin-2-one has a molecular weight of 154.09 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(trifluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 91927657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).