(3,5-difluorophenyl) 2-phenylacetate

C14H10F2O2 — CID 530817

IUPAC(3,5-difluorophenyl) 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1cc(F)cc(F)c1
InChIInChI=1S/C14H10F2O2/c15-11-7-12(16)9-13(8-11)18-14(17)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2
InChIKeyMPVTYZFAJKBWPY-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.11
Rot. Bonds3

About (3,5-difluorophenyl) 2-phenylacetate

(3,5-difluorophenyl) 2-phenylacetate (PubChem CID 530817) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is (3,5-difluorophenyl) 2-phenylacetate.

Molecular Properties

Compound Name(3,5-difluorophenyl) 2-phenylacetate
PubChem CID530817
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name(3,5-difluorophenyl) 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1cc(F)cc(F)c1
InChIInChI=1S/C14H10F2O2/c15-11-7-12(16)9-13(8-11)18-14(17)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2
InChIKeyMPVTYZFAJKBWPY-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl) 2-phenylacetate?
The IUPAC name of (3,5-difluorophenyl) 2-phenylacetate (CID 530817) is (3,5-difluorophenyl) 2-phenylacetate.
What is the SMILES notation for (3,5-difluorophenyl) 2-phenylacetate?
The canonical SMILES for (3,5-difluorophenyl) 2-phenylacetate is O=C(Cc1ccccc1)Oc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl) 2-phenylacetate?
The InChIKey is MPVTYZFAJKBWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-11-7-12(16)9-13(8-11)18-14(17)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2.
What are the key properties of (3,5-difluorophenyl) 2-phenylacetate?
(3,5-difluorophenyl) 2-phenylacetate has a molecular weight of 248.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl) 2-phenylacetate is sourced from PubChem (CID 530817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).