(4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one

C10H8F4N2O — CID 171252694

IUPAC(4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NC[C@H](c2ccc(F)c(C(F)(F)F)c2)N1
InChIInChI=1S/C10H8F4N2O/c11-7-2-1-5(3-6(7)10(12,13)14)8-4-15-9(17)16-8/h1-3,8H,4H2,(H2,15,16,17)/t8-/m1/s1
InChIKeyHKGKFGCCJVKURM-MRVPVSSYSA-N
MW248.18 g/mol
LogP2.20
Rot. Bonds1

About (4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one

(4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 171252694) has the molecular formula C10H8F4N2O and a molecular weight of 248.18 g/mol. Its IUPAC name is (4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID171252694
Molecular FormulaC10H8F4N2O
Molecular Weight248.18 g/mol
Exact Mass248.06
IUPAC Name(4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NC[C@H](c2ccc(F)c(C(F)(F)F)c2)N1
InChIInChI=1S/C10H8F4N2O/c11-7-2-1-5(3-6(7)10(12,13)14)8-4-15-9(17)16-8/h1-3,8H,4H2,(H2,15,16,17)/t8-/m1/s1
InChIKeyHKGKFGCCJVKURM-MRVPVSSYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 171252733
(4R)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171184954
(4R)-4-(3-bromo-4-fluorophenyl)imidazolidin-2-one
CID 130723631
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine
CID 171193656
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196281
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 126796326
4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine
CID 16679514
6-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-2-carboxylic acid
CID 107290045
(4R)-4-(4-hydroxyphenyl)imidazolidin-2-one
CID 130739851
(4S)-4-(2,3,4-trifluorophenyl)imidazolidin-2-one
CID 171252704
4-[(4S)-2-oxoimidazolidin-4-yl]benzoic acid
CID 131480890
(4R)-4-(3-chloro-4-methylphenyl)imidazolidin-2-one
CID 130642849

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of (4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 171252694) is (4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for (4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for (4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1NC[C@H](c2ccc(F)c(C(F)(F)F)c2)N1.
What is the InChIKey of (4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is HKGKFGCCJVKURM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8F4N2O/c11-7-2-1-5(3-6(7)10(12,13)14)8-4-15-9(17)16-8/h1-3,8H,4H2,(H2,15,16,17)/t8-/m1/s1.
What are the key properties of (4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one?
(4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 248.18 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 171252694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).