2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one

C6H7F3N2O — CID 106951988

IUPAC2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(CCC(F)(F)F)N1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)2-1-4-10-3-5(12)11-4/h1-3H2,(H,10,11,12)
InChIKeyMTHWHHGLYOTSRI-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.86
Rot. Bonds2

About 2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one

2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one (PubChem CID 106951988) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
PubChem CID106951988
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(CCC(F)(F)F)N1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)2-1-4-10-3-5(12)11-4/h1-3H2,(H,10,11,12)
InChIKeyMTHWHHGLYOTSRI-UHFFFAOYSA-N
XLogP0.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethyl-3,5-dihydroimidazol-4-one
CID 57435862
2-(2,2,2-Trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106951807
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
CID 106951931
2-[2-(2,2-Difluoroethoxy)ethyl]-1,4-dihydroimidazol-5-one
CID 106951967
4-Methyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106952046
4-Methyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
CID 106952252
4-Ethyl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106952587
4-Ethyl-2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one
CID 106952769
2-(Trifluoromethyl)-1,4-dihydroimidazol-5-one
CID 129929699
2-Propyl-1H-imidazol-4(5H)-one
CID 19391756

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one (CID 106951988) is 2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one is O=C1CN=C(CCC(F)(F)F)N1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
The InChIKey is MTHWHHGLYOTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)2-1-4-10-3-5(12)11-4/h1-3H2,(H,10,11,12).
What are the key properties of 2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one?
2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one has a molecular weight of 180.13 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).