3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one

C7H8F2N2O — CID 141356430

IUPAC3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CC1CC1(F)F
InChIInChI=1S/C7H8F2N2O/c8-7(9)3-5(7)4-11-2-1-10-6(11)12/h1-2,5H,3-4H2,(H,10,12)
InChIKeyYYCDKYQZBBIKMH-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.83
Rot. Bonds2

About 3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one

3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one (PubChem CID 141356430) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one
PubChem CID141356430
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CC1CC1(F)F
InChIInChI=1S/C7H8F2N2O/c8-7(9)3-5(7)4-11-2-1-10-6(11)12/h1-2,5H,3-4H2,(H,10,12)
InChIKeyYYCDKYQZBBIKMH-UHFFFAOYSA-N
XLogP0.83
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-fluorobutyl)-1H-imidazol-2-one
CID 69179192
3-(4,4,4-trifluorobutyl)-1H-imidazol-2-one
CID 103125861
3-[(Z)-2-aminoethenyl]-1-(2,2-difluorocyclopropyl)-1-methylurea
CID 169929179
3-(3-amino-2,2-difluoropropyl)-1H-imidazol-2-one
CID 103124913
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-cyclopropylimidazol-2-one
CID 103366629
3-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-one
CID 106211084
3-(2,2,3,3-tetrafluoropropyl)-1H-imidazol-2-one
CID 106290863
3-(4-fluorobutyl)-1H-imidazol-2-one
CID 130593371
3-(3,3-difluorobutyl)-1H-imidazol-2-one
CID 130612463
1-(Cyclopropylmethyl)-1,3-dihydro-2H-imidazol-2-one
CID 103125040

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one?
The IUPAC name of 3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one (CID 141356430) is 3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one is O=c1[nH]ccn1CC1CC1(F)F.
What is the InChIKey of 3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one?
The InChIKey is YYCDKYQZBBIKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-7(9)3-5(7)4-11-2-1-10-6(11)12/h1-2,5H,3-4H2,(H,10,12).
What are the key properties of 3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one?
3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one has a molecular weight of 174.15 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluorocyclopropyl)methyl]-1H-imidazol-2-one is sourced from PubChem (CID 141356430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).