1-tert-butyl-3-(difluoromethyl)imidazol-2-one

C8H12F2N2O — CID 167333407

IUPAC1-tert-butyl-3-(difluoromethyl)imidazol-2-one
SMILESCC(C)(C)n1ccn(C(F)F)c1=O
InChIInChI=1S/C8H12F2N2O/c1-8(2,3)12-5-4-11(6(9)10)7(12)13/h4-6H,1-3H3
InChIKeyUEEUASZEABDIKA-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.80
Rot. Bonds1

About 1-tert-butyl-3-(difluoromethyl)imidazol-2-one

1-tert-butyl-3-(difluoromethyl)imidazol-2-one (PubChem CID 167333407) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-tert-butyl-3-(difluoromethyl)imidazol-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(difluoromethyl)imidazol-2-one
PubChem CID167333407
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-tert-butyl-3-(difluoromethyl)imidazol-2-one
SMILESCC(C)(C)n1ccn(C(F)F)c1=O
InChIInChI=1S/C8H12F2N2O/c1-8(2,3)12-5-4-11(6(9)10)7(12)13/h4-6H,1-3H3
InChIKeyUEEUASZEABDIKA-UHFFFAOYSA-N
XLogP1.80
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(difluoromethyl)imidazol-2-one?
The IUPAC name of 1-tert-butyl-3-(difluoromethyl)imidazol-2-one (CID 167333407) is 1-tert-butyl-3-(difluoromethyl)imidazol-2-one.
What is the SMILES notation for 1-tert-butyl-3-(difluoromethyl)imidazol-2-one?
The canonical SMILES for 1-tert-butyl-3-(difluoromethyl)imidazol-2-one is CC(C)(C)n1ccn(C(F)F)c1=O.
What is the InChIKey of 1-tert-butyl-3-(difluoromethyl)imidazol-2-one?
The InChIKey is UEEUASZEABDIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-8(2,3)12-5-4-11(6(9)10)7(12)13/h4-6H,1-3H3.
What are the key properties of 1-tert-butyl-3-(difluoromethyl)imidazol-2-one?
1-tert-butyl-3-(difluoromethyl)imidazol-2-one has a molecular weight of 190.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(difluoromethyl)imidazol-2-one is sourced from PubChem (CID 167333407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).