(4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one

C9H7F3N2O — CID 171252704

IUPAC(4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2ccc(F)c(F)c2F)N1
InChIInChI=1S/C9H7F3N2O/c10-5-2-1-4(7(11)8(5)12)6-3-13-9(15)14-6/h1-2,6H,3H2,(H2,13,14,15)/t6-/m1/s1
InChIKeyKOKOVKQTXDRHFV-ZCFIWIBFSA-N
MW216.16 g/mol
LogP1.46
Rot. Bonds1

About (4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one

(4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one (PubChem CID 171252704) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is (4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one
PubChem CID171252704
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name(4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2ccc(F)c(F)c2F)N1
InChIInChI=1S/C9H7F3N2O/c10-5-2-1-4(7(11)8(5)12)6-3-13-9(15)14-6/h1-2,6H,3H2,(H2,13,14,15)/t6-/m1/s1
InChIKeyKOKOVKQTXDRHFV-ZCFIWIBFSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one (CID 171252704) is (4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one is O=C1NC[C@H](c2ccc(F)c(F)c2F)N1.
What is the InChIKey of (4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one?
The InChIKey is KOKOVKQTXDRHFV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-5-2-1-4(7(11)8(5)12)6-3-13-9(15)14-6/h1-2,6H,3H2,(H2,13,14,15)/t6-/m1/s1.
What are the key properties of (4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one?
(4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one has a molecular weight of 216.16 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 171252704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).