1-(2-fluoroethyl)-3-methylimidazol-2-one

C6H9FN2O — CID 116624561

IUPAC1-(2-fluoroethyl)-3-methylimidazol-2-one
SMILESCn1ccn(CCF)c1=O
InChIInChI=1S/C6H9FN2O/c1-8-4-5-9(3-2-7)6(8)10/h4-5H,2-3H2,1H3
InChIKeyLJWDYMFEIKPBMR-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.16
Rot. Bonds2

About 1-(2-fluoroethyl)-3-methylimidazol-2-one

1-(2-fluoroethyl)-3-methylimidazol-2-one (PubChem CID 116624561) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-methylimidazol-2-one
PubChem CID116624561
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name1-(2-fluoroethyl)-3-methylimidazol-2-one
SMILESCn1ccn(CCF)c1=O
InChIInChI=1S/C6H9FN2O/c1-8-4-5-9(3-2-7)6(8)10/h4-5H,2-3H2,1H3
InChIKeyLJWDYMFEIKPBMR-UHFFFAOYSA-N
XLogP0.16
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dihydro-1-[4-(dimethylamino)-2-butynyl]-3-methyl-2H-imidazol-2-one
CID 15065518
1,3-Dimethyl-2-imidazolone
CID 6933312
1,3-Bis(ethenyl)imidazol-2-one
CID 45087691
1-Butyl-3-methyl-1H-imidazol-2(3H)-one
CID 45088397
1-Ethyl-3-methylimidazolium carboxylate
CID 90272873
1,3-Dibutyl-4-fluoroimidazol-2-one
CID 151172496
4-Fluoro-1,3-dimethylimidazol-2-one
CID 152172525
(3-Ethyl-2-oxoimidazol-1-yl)methyl-trifluoroboranuide
CID 80582821
1-Methyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
CID 115773713
1-Ethyl-3-(2,2,2-trifluoroethyl)imidazol-2-one
CID 116624134
1-Ethyl-3-(4,4,4-trifluorobutyl)imidazol-2-one
CID 116624170
1-(Difluoromethyl)-3-ethylimidazol-2-one
CID 116624241

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(2-fluoroethyl)-3-methylimidazol-2-one (CID 116624561) is 1-(2-fluoroethyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(2-fluoroethyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(2-fluoroethyl)-3-methylimidazol-2-one is Cn1ccn(CCF)c1=O.
What is the InChIKey of 1-(2-fluoroethyl)-3-methylimidazol-2-one?
The InChIKey is LJWDYMFEIKPBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-8-4-5-9(3-2-7)6(8)10/h4-5H,2-3H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-methylimidazol-2-one?
1-(2-fluoroethyl)-3-methylimidazol-2-one has a molecular weight of 144.15 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-methylimidazol-2-one is sourced from PubChem (CID 116624561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).