(2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone

C15H11FO2 — CID 14343422

IUPAC(2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1(F)OC1c1ccccc1
InChIInChI=1S/C15H11FO2/c16-15(13(17)11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,14H
InChIKeyFTKSJJWAXWUHOQ-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.31
Rot. Bonds3

About (2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone

(2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone (PubChem CID 14343422) has the molecular formula C15H11FO2 and a molecular weight of 242.25 g/mol. Its IUPAC name is (2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone
PubChem CID14343422
Molecular FormulaC15H11FO2
Molecular Weight242.25 g/mol
Exact Mass242.07
IUPAC Name(2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)C1(F)OC1c1ccccc1
InChIInChI=1S/C15H11FO2/c16-15(13(17)11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,14H
InChIKeyFTKSJJWAXWUHOQ-UHFFFAOYSA-N
XLogP3.31
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone?
The IUPAC name of (2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone (CID 14343422) is (2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone.
What is the SMILES notation for (2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone?
The canonical SMILES for (2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone is O=C(c1ccccc1)C1(F)OC1c1ccccc1.
What is the InChIKey of (2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone?
The InChIKey is FTKSJJWAXWUHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO2/c16-15(13(17)11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,14H.
What are the key properties of (2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone?
(2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone has a molecular weight of 242.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-phenyloxiran-2-yl)-phenylmethanone is sourced from PubChem (CID 14343422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).