[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone

C19H20FNO2S — CID 45213351

IUPAC[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C19H20FNO2S/c1-24-18-8-3-2-7-17(18)19(22)21-9-10-23-16(13-21)12-14-5-4-6-15(20)11-14/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyHTSWDCMIXMPWEN-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.63
Rot. Bonds4

About [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone

[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 45213351) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID45213351
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC Name[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C19H20FNO2S/c1-24-18-8-3-2-7-17(18)19(22)21-9-10-23-16(13-21)12-14-5-4-6-15(20)11-14/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyHTSWDCMIXMPWEN-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone (CID 45213351) is [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1CCOC(Cc2cccc(F)c2)C1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is HTSWDCMIXMPWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S/c1-24-18-8-3-2-7-17(18)19(22)21-9-10-23-16(13-21)12-14-5-4-6-15(20)11-14/h2-8,11,16H,9-10,12-13H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone?
[2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 345.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]morpholin-4-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 45213351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).