ethyl 2-fluoro-2-(4-nitrophenyl)acetate

C10H10FNO4 — CID 132529905

IUPACethyl 2-fluoro-2-(4-nitrophenyl)acetate
SMILESCCOC(=O)C(F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10FNO4/c1-2-16-10(13)9(11)7-3-5-8(6-4-7)12(14)15/h3-6,9H,2H2,1H3
InChIKeySAZCWGXUWWPXCQ-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.17
Rot. Bonds4

About ethyl 2-fluoro-2-(4-nitrophenyl)acetate

ethyl 2-fluoro-2-(4-nitrophenyl)acetate (PubChem CID 132529905) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-nitrophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-nitrophenyl)acetate
PubChem CID132529905
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Nameethyl 2-fluoro-2-(4-nitrophenyl)acetate
SMILESCCOC(=O)C(F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10FNO4/c1-2-16-10(13)9(11)7-3-5-8(6-4-7)12(14)15/h3-6,9H,2H2,1H3
InChIKeySAZCWGXUWWPXCQ-UHFFFAOYSA-N
XLogP2.17
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (3S)-3-amino-2-fluoro-3-(4-nitrophenyl)propanoate
CID 171245622
tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate
CID 16744629
diethyl 2-[4-(4-nitrophenyl)phenyl]propanedioate
CID 59464037
ethyl (2S,3R)-2,3-dihydroxy-3-(4-nitrophenyl)propanoate
CID 11149499
ethyl 2-fluoro-2-(4-methylphenyl)acetate
CID 15712195
ethyl 2-(4-nitrophenyl)-2-phenylacetate
CID 171639560
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
ethyl 2-iodo-2-(4-methylphenyl)acetate;ethyl 2-iodo-2-(4-nitrophenyl)acetate
CID 175560119
ethyl 2-(4-nitrophenyl)hexanoate
CID 67154048
ethyl 4-amino-2-(4-nitrophenyl)butanoate
CID 118348003
ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate
CID 125041350
ethyl 2-acetyl-3-(4-nitrophenyl)butanoate
CID 18371049

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-nitrophenyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-nitrophenyl)acetate (CID 132529905) is ethyl 2-fluoro-2-(4-nitrophenyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-nitrophenyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-nitrophenyl)acetate is CCOC(=O)C(F)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of ethyl 2-fluoro-2-(4-nitrophenyl)acetate?
The InChIKey is SAZCWGXUWWPXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-2-16-10(13)9(11)7-3-5-8(6-4-7)12(14)15/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(4-nitrophenyl)acetate?
ethyl 2-fluoro-2-(4-nitrophenyl)acetate has a molecular weight of 227.19 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-nitrophenyl)acetate is sourced from PubChem (CID 132529905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).