(5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one

C8H13F3N2O — CID 71287734

IUPAC(5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILESCC(C)[C@@H]1CNC(=O)N1CC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-5(2)6-3-12-7(14)13(6)4-8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,14)/t6-/m0/s1
InChIKeyYZESEPCMAWOISD-LURJTMIESA-N
MW210.20 g/mol
LogP1.60
Rot. Bonds2

About (5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one

(5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one (PubChem CID 71287734) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is (5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
PubChem CID71287734
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name(5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one
SMILESCC(C)[C@@H]1CNC(=O)N1CC(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-5(2)6-3-12-7(14)13(6)4-8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,14)/t6-/m0/s1
InChIKeyYZESEPCMAWOISD-LURJTMIESA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The IUPAC name of (5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one (CID 71287734) is (5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one.
What is the SMILES notation for (5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The canonical SMILES for (5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one is CC(C)[C@@H]1CNC(=O)N1CC(F)(F)F.
What is the InChIKey of (5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
The InChIKey is YZESEPCMAWOISD-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-5(2)6-3-12-7(14)13(6)4-8(9,10)11/h5-6H,3-4H2,1-2H3,(H,12,14)/t6-/m0/s1.
What are the key properties of (5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one?
(5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one has a molecular weight of 210.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazolidin-2-one is sourced from PubChem (CID 71287734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).