1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one

C9H13F3N2O2 — CID 116625209

IUPAC1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one
SMILESCC(C)n1ccn(CCOC(F)(F)F)c1=O
InChIInChI=1S/C9H13F3N2O2/c1-7(2)14-4-3-13(8(14)15)5-6-16-9(10,11)12/h3-4,7H,5-6H2,1-2H3
InChIKeyMAWLPWILDHIBRY-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.77
Rot. Bonds4

About 1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one

1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one (PubChem CID 116625209) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one
PubChem CID116625209
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one
SMILESCC(C)n1ccn(CCOC(F)(F)F)c1=O
InChIInChI=1S/C9H13F3N2O2/c1-7(2)14-4-3-13(8(14)15)5-6-16-9(10,11)12/h3-4,7H,5-6H2,1-2H3
InChIKeyMAWLPWILDHIBRY-UHFFFAOYSA-N
XLogP1.77
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one?
The IUPAC name of 1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one (CID 116625209) is 1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one.
What is the SMILES notation for 1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one?
The canonical SMILES for 1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one is CC(C)n1ccn(CCOC(F)(F)F)c1=O.
What is the InChIKey of 1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one?
The InChIKey is MAWLPWILDHIBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-7(2)14-4-3-13(8(14)15)5-6-16-9(10,11)12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one?
1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one has a molecular weight of 238.21 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-(trifluoromethoxy)ethyl]imidazol-2-one is sourced from PubChem (CID 116625209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).