ethyl 2-fluoro-2-imidazol-1-ylacetate

C7H9FN2O2 — CID 79885931

IUPACethyl 2-fluoro-2-imidazol-1-ylacetate
SMILESCCOC(=O)C(F)n1ccnc1
InChIInChI=1S/C7H9FN2O2/c1-2-12-7(11)6(8)10-4-3-9-5-10/h3-6H,2H2,1H3
InChIKeyICSDJQYFLQDZGB-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.91
Rot. Bonds3

About ethyl 2-fluoro-2-imidazol-1-ylacetate

ethyl 2-fluoro-2-imidazol-1-ylacetate (PubChem CID 79885931) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is ethyl 2-fluoro-2-imidazol-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-imidazol-1-ylacetate
PubChem CID79885931
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Nameethyl 2-fluoro-2-imidazol-1-ylacetate
SMILESCCOC(=O)C(F)n1ccnc1
InChIInChI=1S/C7H9FN2O2/c1-2-12-7(11)6(8)10-4-3-9-5-10/h3-6H,2H2,1H3
InChIKeyICSDJQYFLQDZGB-UHFFFAOYSA-N
XLogP0.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-imidazol-1-ylpropanedioate
CID 12742662
1-O-ethyl 3-O-prop-2-enyl 2-imidazol-1-ylpropanedioate;hydrochloride
CID 174597253
ethyl 4-(3-imidazol-1-ylhexanoylamino)butanoate
CID 60706879
dodecyl 2-imidazol-1-ylpropanoate
CID 10063901
1-imidazol-1-ylpropyl acetate
CID 126696666
ethyl 2-fluoro-2-(6-oxopyridazin-1-yl)acetate
CID 81296975
1-hexan-3-ylimidazole
CID 54145075
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
CID 115410108
ethyl imidazol-1-yl carbonate
CID 174735954
10-imidazol-1-yloctadecanoic acid
CID 86691655
benzyl 2-imidazol-1-ylhexanoate
CID 86740497

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-imidazol-1-ylacetate?
The IUPAC name of ethyl 2-fluoro-2-imidazol-1-ylacetate (CID 79885931) is ethyl 2-fluoro-2-imidazol-1-ylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-imidazol-1-ylacetate?
The canonical SMILES for ethyl 2-fluoro-2-imidazol-1-ylacetate is CCOC(=O)C(F)n1ccnc1.
What is the InChIKey of ethyl 2-fluoro-2-imidazol-1-ylacetate?
The InChIKey is ICSDJQYFLQDZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-2-12-7(11)6(8)10-4-3-9-5-10/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-imidazol-1-ylacetate?
ethyl 2-fluoro-2-imidazol-1-ylacetate has a molecular weight of 172.16 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-imidazol-1-ylacetate is sourced from PubChem (CID 79885931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).