2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one

C10H16F2N2O2 — CID 106953049

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(CCOCC(F)F)NC1=O
InChIInChI=1S/C10H16F2N2O2/c1-6(2)9-10(15)14-8(13-9)3-4-16-5-7(11)12/h6-7,9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyQSYYIIIJKGNTCG-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.21
Rot. Bonds6

About 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one

2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 106953049) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID106953049
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCC(C)C1N=C(CCOCC(F)F)NC1=O
InChIInChI=1S/C10H16F2N2O2/c1-6(2)9-10(15)14-8(13-9)3-4-16-5-7(11)12/h6-7,9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyQSYYIIIJKGNTCG-UHFFFAOYSA-N
XLogP1.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one (CID 106953049) is 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one is CC(C)C1N=C(CCOCC(F)F)NC1=O.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is QSYYIIIJKGNTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c1-6(2)9-10(15)14-8(13-9)3-4-16-5-7(11)12/h6-7,9H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one?
2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 234.25 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).