(5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

C10H16F2N2O2 — CID 99711356

IUPAC(5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@]1(C)NC(=O)N(CC(F)F)C1=O
InChIInChI=1S/C10H16F2N2O2/c1-6(2)4-10(3)8(15)14(5-7(11)12)9(16)13-10/h6-7H,4-5H2,1-3H3,(H,13,16)/t10-/m0/s1
InChIKeySDYIBEVPQDINTD-JTQLQIEISA-N
MW234.25 g/mol
LogP1.61
Rot. Bonds4

About (5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

(5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 99711356) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is (5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID99711356
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name(5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@]1(C)NC(=O)N(CC(F)F)C1=O
InChIInChI=1S/C10H16F2N2O2/c1-6(2)4-10(3)8(15)14(5-7(11)12)9(16)13-10/h6-7H,4-5H2,1-3H3,(H,13,16)/t10-/m0/s1
InChIKeySDYIBEVPQDINTD-JTQLQIEISA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 4432972
CID 4432972
CID 2968907
CID 2968907
CID 2980567
CID 2980567
CID 16293462
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CID 24982466
CID 24982466
CID 3238722
CID 3238722
CID 51361561
CID 51361561
CID 3063773
CID 3063773
CID 2969317
CID 2969317
CID 9207452
CID 9207452
CID 18777073
CID 18777073
CID 24979519
CID 24979519

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 99711356) is (5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)C[C@]1(C)NC(=O)N(CC(F)F)C1=O.
What is the InChIKey of (5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is SDYIBEVPQDINTD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16F2N2O2/c1-6(2)4-10(3)8(15)14(5-7(11)12)9(16)13-10/h6-7H,4-5H2,1-3H3,(H,13,16)/t10-/m0/s1.
What are the key properties of (5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 99711356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).