(2-cyanophenyl) 2-(2-fluorophenoxy)acetate

C15H10FNO3 — CID 7934993

IUPAC(2-cyanophenyl) 2-(2-fluorophenoxy)acetate
SMILESN#Cc1ccccc1OC(=O)COc1ccccc1F
InChIInChI=1S/C15H10FNO3/c16-12-6-2-4-8-14(12)19-10-15(18)20-13-7-3-1-5-11(13)9-17/h1-8H,10H2
InChIKeyXGLNCZQIBHHHSK-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.68
Rot. Bonds4

About (2-cyanophenyl) 2-(2-fluorophenoxy)acetate

(2-cyanophenyl) 2-(2-fluorophenoxy)acetate (PubChem CID 7934993) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is (2-cyanophenyl) 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name(2-cyanophenyl) 2-(2-fluorophenoxy)acetate
PubChem CID7934993
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name(2-cyanophenyl) 2-(2-fluorophenoxy)acetate
SMILESN#Cc1ccccc1OC(=O)COc1ccccc1F
InChIInChI=1S/C15H10FNO3/c16-12-6-2-4-8-14(12)19-10-15(18)20-13-7-3-1-5-11(13)9-17/h1-8H,10H2
InChIKeyXGLNCZQIBHHHSK-UHFFFAOYSA-N
XLogP2.68
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-cyanophenyl) 2-(2-bromo-4-fluorophenoxy)acetate
CID 29296923
(2-cyanophenyl) 2-(2-chloro-4-fluorophenoxy)acetate
CID 18286354
(4-cyanophenyl) 2-(2-cyanophenoxy)acetate
CID 4810644
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304
(2-fluorophenyl) 2-(2-nitrophenoxy)acetate
CID 7900804
(2,4,6-trimethylphenyl) 2-(2-cyanophenoxy)acetate
CID 8915413
(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate
CID 8881772
methyl 4-[2-(2-cyanophenoxy)acetyl]oxybenzoate
CID 8961330
2-[2-(2,5-difluorophenyl)-2-oxoethoxy]benzonitrile
CID 60643058
2-(3-cyano-2-oxopropoxy)benzonitrile
CID 20617575
(2-cyanophenyl) 4-fluorobenzoate
CID 7934940

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl) 2-(2-fluorophenoxy)acetate?
The IUPAC name of (2-cyanophenyl) 2-(2-fluorophenoxy)acetate (CID 7934993) is (2-cyanophenyl) 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for (2-cyanophenyl) 2-(2-fluorophenoxy)acetate?
The canonical SMILES for (2-cyanophenyl) 2-(2-fluorophenoxy)acetate is N#Cc1ccccc1OC(=O)COc1ccccc1F.
What is the InChIKey of (2-cyanophenyl) 2-(2-fluorophenoxy)acetate?
The InChIKey is XGLNCZQIBHHHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-12-6-2-4-8-14(12)19-10-15(18)20-13-7-3-1-5-11(13)9-17/h1-8H,10H2.
What are the key properties of (2-cyanophenyl) 2-(2-fluorophenoxy)acetate?
(2-cyanophenyl) 2-(2-fluorophenoxy)acetate has a molecular weight of 271.25 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl) 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 7934993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).