3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one

C6H9F2N3O — CID 103124913

IUPAC3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one
SMILESNCC(F)(F)Cn1cc[nH]c1=O
InChIInChI=1S/C6H9F2N3O/c7-6(8,3-9)4-11-2-1-10-5(11)12/h1-2H,3-4,9H2,(H,10,12)
InChIKeyPEEPVEOOJMRSBJ-UHFFFAOYSA-N
MW177.15 g/mol
LogP-0.23
Rot. Bonds3

About 3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one

3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one (PubChem CID 103124913) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one
PubChem CID103124913
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one
SMILESNCC(F)(F)Cn1cc[nH]c1=O
InChIInChI=1S/C6H9F2N3O/c7-6(8,3-9)4-11-2-1-10-5(11)12/h1-2H,3-4,9H2,(H,10,12)
InChIKeyPEEPVEOOJMRSBJ-UHFFFAOYSA-N
XLogP-0.23
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-fluorobutyl)-1H-imidazol-2-one
CID 69179192
3-(2,2-difluoroethyl)-1H-imidazol-2-one
CID 103125858
3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one
CID 103125861
3-(2,2,2-trifluoroethyl)-1H-imidazol-2-one
CID 116013724
3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one
CID 141356430
3-(difluoromethyl)-1H-imidazol-2-one
CID 167615880
3-[(Z)-2-aminoethenyl]-1-(2,2-difluorocyclopropyl)-1-methylurea
CID 169929179
3-(3,3,3-trifluoropropyl)-1H-imidazol-2-one
CID 103125619
3-(5,5,5-trifluoropentyl)-1H-imidazol-2-one
CID 103125863
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-ethylimidazol-2-one
CID 103366626
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one
CID 103366627
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one
CID 103366628

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one?
The IUPAC name of 3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one (CID 103124913) is 3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one is NCC(F)(F)Cn1cc[nH]c1=O.
What is the InChIKey of 3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one?
The InChIKey is PEEPVEOOJMRSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c7-6(8,3-9)4-11-2-1-10-5(11)12/h1-2H,3-4,9H2,(H,10,12).
What are the key properties of 3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one?
3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one has a molecular weight of 177.15 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one is sourced from PubChem (CID 103124913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).