(4-fluorophenyl) 2-(2-fluorophenoxy)propanoate

C15H12F2O3 — CID 3324699

IUPAC(4-fluorophenyl) 2-(2-fluorophenoxy)propanoate
SMILESCC(Oc1ccccc1F)C(=O)Oc1ccc(F)cc1
InChIInChI=1S/C15H12F2O3/c1-10(19-14-5-3-2-4-13(14)17)15(18)20-12-8-6-11(16)7-9-12/h2-10H,1H3
InChIKeyMUQLHCLZCUKHSL-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.34
Rot. Bonds4

About (4-fluorophenyl) 2-(2-fluorophenoxy)propanoate

(4-fluorophenyl) 2-(2-fluorophenoxy)propanoate (PubChem CID 3324699) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is (4-fluorophenyl) 2-(2-fluorophenoxy)propanoate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-(2-fluorophenoxy)propanoate
PubChem CID3324699
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name(4-fluorophenyl) 2-(2-fluorophenoxy)propanoate
SMILESCC(Oc1ccccc1F)C(=O)Oc1ccc(F)cc1
InChIInChI=1S/C15H12F2O3/c1-10(19-14-5-3-2-4-13(14)17)15(18)20-12-8-6-11(16)7-9-12/h2-10H,1H3
InChIKeyMUQLHCLZCUKHSL-UHFFFAOYSA-N
XLogP3.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate
CID 887463
(4-fluorophenyl) (2S)-2-(3,4-dimethylphenoxy)propanoate
CID 891244
phenyl (2R)-2-(2-methoxyphenoxy)propanoate
CID 134965556
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
N-(2-amino-4-fluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 16789198
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
(4-fluorophenyl) phenyl carbonate
CID 555788
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
(2R)-N-(3,5-dimethoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 31901152

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 2-(2-fluorophenoxy)propanoate?
The IUPAC name of (4-fluorophenyl) 2-(2-fluorophenoxy)propanoate (CID 3324699) is (4-fluorophenyl) 2-(2-fluorophenoxy)propanoate.
What is the SMILES notation for (4-fluorophenyl) 2-(2-fluorophenoxy)propanoate?
The canonical SMILES for (4-fluorophenyl) 2-(2-fluorophenoxy)propanoate is CC(Oc1ccccc1F)C(=O)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 2-(2-fluorophenoxy)propanoate?
The InChIKey is MUQLHCLZCUKHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-10(19-14-5-3-2-4-13(14)17)15(18)20-12-8-6-11(16)7-9-12/h2-10H,1H3.
What are the key properties of (4-fluorophenyl) 2-(2-fluorophenoxy)propanoate?
(4-fluorophenyl) 2-(2-fluorophenoxy)propanoate has a molecular weight of 278.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 2-(2-fluorophenoxy)propanoate is sourced from PubChem (CID 3324699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).