(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C19H20FNO2 — CID 84545325

IUPAC(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCCc1ccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H20FNO2/c1-2-14-3-5-16(6-4-14)19(22)21-11-12-23-18(13-21)15-7-9-17(20)10-8-15/h3-10,18H,2,11-13H2,1H3
InChIKeySCMRYXRXFUNRRT-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.60
Rot. Bonds3

About (4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone

(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 84545325) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID84545325
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCCc1ccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H20FNO2/c1-2-14-3-5-16(6-4-14)19(22)21-11-12-23-18(13-21)15-7-9-17(20)10-8-15/h3-10,18H,2,11-13H2,1H3
InChIKeySCMRYXRXFUNRRT-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 84545325) is (4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is CCc1ccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of (4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is SCMRYXRXFUNRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-2-14-3-5-16(6-4-14)19(22)21-11-12-23-18(13-21)15-7-9-17(20)10-8-15/h3-10,18H,2,11-13H2,1H3.
What are the key properties of (4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 313.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 84545325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).