ethyl 2-(2-azido-3,4-difluorophenyl)acetate

C10H9F2N3O2 — CID 174847097

IUPACethyl 2-(2-azido-3,4-difluorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(F)c(F)c1N=[N+]=[N-]
InChIInChI=1S/C10H9F2N3O2/c1-2-17-8(16)5-6-3-4-7(11)9(12)10(6)14-15-13/h3-4H,2,5H2,1H3
InChIKeyLCCGAXXXJGVHDN-UHFFFAOYSA-N
MW241.20 g/mol
LogP3.01
Rot. Bonds4

About ethyl 2-(2-azido-3,4-difluorophenyl)acetate

ethyl 2-(2-azido-3,4-difluorophenyl)acetate (PubChem CID 174847097) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is ethyl 2-(2-azido-3,4-difluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-azido-3,4-difluorophenyl)acetate
PubChem CID174847097
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Nameethyl 2-(2-azido-3,4-difluorophenyl)acetate
SMILESCCOC(=O)Cc1ccc(F)c(F)c1N=[N+]=[N-]
InChIInChI=1S/C10H9F2N3O2/c1-2-17-8(16)5-6-3-4-7(11)9(12)10(6)14-15-13/h3-4H,2,5H2,1H3
InChIKeyLCCGAXXXJGVHDN-UHFFFAOYSA-N
XLogP3.01
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2,3-diamino-4-fluorophenyl)acetate
CID 171024930
ethyl 2-(4-azido-3,5-dibromophenyl)acetate
CID 169325043
ethyl 2-(4-fluoronaphthalen-1-yl)acetate
CID 131631742
1-O-ethyl 3-O-[2-(2,3,4-trifluorophenyl)ethyl] propanedioate
CID 139826733
ethyl 2-(3,4,5-trifluoro-2-hydroxyphenyl)acetate
CID 86662985
ethyl 2-(4-chloro-3-fluoro-2-methylphenyl)acetate
CID 171030020
ethyl 5-(2,3,4-trifluorophenyl)pentanoate
CID 67632318
ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 140674164
ethyl 2-(3-cyano-2-fluoro-4-hydroxyphenyl)acetate
CID 134654362
ethyl 2-[2-hydroxy-4-(2-hydroxypropan-2-yl)phenyl]acetate
CID 175409961
ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate
CID 134631915
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-azido-3,4-difluorophenyl)acetate?
The IUPAC name of ethyl 2-(2-azido-3,4-difluorophenyl)acetate (CID 174847097) is ethyl 2-(2-azido-3,4-difluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(2-azido-3,4-difluorophenyl)acetate?
The canonical SMILES for ethyl 2-(2-azido-3,4-difluorophenyl)acetate is CCOC(=O)Cc1ccc(F)c(F)c1N=[N+]=[N-].
What is the InChIKey of ethyl 2-(2-azido-3,4-difluorophenyl)acetate?
The InChIKey is LCCGAXXXJGVHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c1-2-17-8(16)5-6-3-4-7(11)9(12)10(6)14-15-13/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(2-azido-3,4-difluorophenyl)acetate?
ethyl 2-(2-azido-3,4-difluorophenyl)acetate has a molecular weight of 241.20 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-azido-3,4-difluorophenyl)acetate is sourced from PubChem (CID 174847097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).