[2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate

C19H13FO3 — CID 2067801

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C19H13FO3/c20-15-10-8-14(9-11-15)18(21)12-23-19(22)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2
InChIKeyHEBKWEWRGBSTBN-UHFFFAOYSA-N
MW308.31 g/mol
LogP4.02
Rot. Bonds4

About [2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate

[2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate (PubChem CID 2067801) has the molecular formula C19H13FO3 and a molecular weight of 308.31 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate
PubChem CID2067801
Molecular FormulaC19H13FO3
Molecular Weight308.31 g/mol
Exact Mass308.08
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cccc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C19H13FO3/c20-15-10-8-14(9-11-15)18(21)12-23-19(22)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2
InChIKeyHEBKWEWRGBSTBN-UHFFFAOYSA-N
XLogP4.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate (CID 2067801) is [2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate is O=C(COC(=O)c1cccc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate?
The InChIKey is HEBKWEWRGBSTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FO3/c20-15-10-8-14(9-11-15)18(21)12-23-19(22)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate?
[2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate has a molecular weight of 308.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 2067801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).