3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

C10H13F3N2O3 — CID 102735180

IUPAC3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N([C@H]2CCC[C@@H]2O)C1=O
InChIInChI=1S/C10H13F3N2O3/c1-9(10(11,12)13)7(17)15(8(18)14-9)5-3-2-4-6(5)16/h5-6,16H,2-4H2,1H3,(H,14,18)/t5-,6-,9?/m0/s1
InChIKeyVZFVGFSGGOVXDW-NCYRLESRSA-N
MW266.22 g/mol
LogP0.77
Rot. Bonds1

About 3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 102735180) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID102735180
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC1(C(F)(F)F)NC(=O)N([C@H]2CCC[C@@H]2O)C1=O
InChIInChI=1S/C10H13F3N2O3/c1-9(10(11,12)13)7(17)15(8(18)14-9)5-3-2-4-6(5)16/h5-6,16H,2-4H2,1H3,(H,14,18)/t5-,6-,9?/m0/s1
InChIKeyVZFVGFSGGOVXDW-NCYRLESRSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 102735180) is 3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CC1(C(F)(F)F)NC(=O)N([C@H]2CCC[C@@H]2O)C1=O.
What is the InChIKey of 3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is VZFVGFSGGOVXDW-NCYRLESRSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-9(10(11,12)13)7(17)15(8(18)14-9)5-3-2-4-6(5)16/h5-6,16H,2-4H2,1H3,(H,14,18)/t5-,6-,9?/m0/s1.
What are the key properties of 3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 266.22 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 102735180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).