2-fluoroethyl 2-(4-nitrophenyl)acetate

C10H10FNO4 — CID 20232

IUPAC2-fluoroethyl 2-(4-nitrophenyl)acetate
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)OCCF
InChIInChI=1S/C10H10FNO4/c11-5-6-16-10(13)7-8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
InChIKeyGTCNCFMJBMQOJT-UHFFFAOYSA-N
MW227.19 g/mol
LogP1.65
Rot. Bonds5

About 2-fluoroethyl 2-(4-nitrophenyl)acetate

2-fluoroethyl 2-(4-nitrophenyl)acetate (PubChem CID 20232) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-fluoroethyl 2-(4-nitrophenyl)acetate.

Molecular Properties

Compound Name2-fluoroethyl 2-(4-nitrophenyl)acetate
PubChem CID20232
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name2-fluoroethyl 2-(4-nitrophenyl)acetate
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)OCCF
InChIInChI=1S/C10H10FNO4/c11-5-6-16-10(13)7-8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
InChIKeyGTCNCFMJBMQOJT-UHFFFAOYSA-N
XLogP1.65
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-(4-nitrophenyl)acetate?
The IUPAC name of 2-fluoroethyl 2-(4-nitrophenyl)acetate (CID 20232) is 2-fluoroethyl 2-(4-nitrophenyl)acetate.
What is the SMILES notation for 2-fluoroethyl 2-(4-nitrophenyl)acetate?
The canonical SMILES for 2-fluoroethyl 2-(4-nitrophenyl)acetate is O=C(Cc1ccc([N+](=O)[O-])cc1)OCCF.
What is the InChIKey of 2-fluoroethyl 2-(4-nitrophenyl)acetate?
The InChIKey is GTCNCFMJBMQOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c11-5-6-16-10(13)7-8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2.
What are the key properties of 2-fluoroethyl 2-(4-nitrophenyl)acetate?
2-fluoroethyl 2-(4-nitrophenyl)acetate has a molecular weight of 227.19 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-(4-nitrophenyl)acetate is sourced from PubChem (CID 20232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).