[5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone

C21H18FNO2S — CID 52532023

IUPAC[5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2F)s1)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C21H18FNO2S/c22-17-9-5-4-8-16(17)19-10-11-20(26-19)21(24)23-12-13-25-18(14-23)15-6-2-1-3-7-15/h1-11,18H,12-14H2/t18-/m0/s1
InChIKeyMXPUQGPQEZEGHX-SFHVURJKSA-N
MW367.45 g/mol
LogP4.77
Rot. Bonds3

About [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone

[5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone (PubChem CID 52532023) has the molecular formula C21H18FNO2S and a molecular weight of 367.45 g/mol. Its IUPAC name is [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
PubChem CID52532023
Molecular FormulaC21H18FNO2S
Molecular Weight367.45 g/mol
Exact Mass367.10
IUPAC Name[5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2F)s1)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C21H18FNO2S/c22-17-9-5-4-8-16(17)19-10-11-20(26-19)21(24)23-12-13-25-18(14-23)15-6-2-1-3-7-15/h1-11,18H,12-14H2/t18-/m0/s1
InChIKeyMXPUQGPQEZEGHX-SFHVURJKSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone (CID 52532023) is [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone is O=C(c1ccc(-c2ccccc2F)s1)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is MXPUQGPQEZEGHX-SFHVURJKSA-N. The full InChI is InChI=1S/C21H18FNO2S/c22-17-9-5-4-8-16(17)19-10-11-20(26-19)21(24)23-12-13-25-18(14-23)15-6-2-1-3-7-15/h1-11,18H,12-14H2/t18-/m0/s1.
What are the key properties of [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone?
[5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)thiophen-2-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 52532023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).