(2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

C19H18F3NO2S — CID 56763881

IUPAC(2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESCSc1ccccc1C(=O)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H18F3NO2S/c1-26-17-5-3-2-4-15(17)18(24)23-10-11-25-16(12-23)13-6-8-14(9-7-13)19(20,21)22/h2-9,16H,10-12H2,1H3
InChIKeyCHGOHZXVVUYYRU-UHFFFAOYSA-N
MW381.42 g/mol
LogP4.64
Rot. Bonds3

About (2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

(2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 56763881) has the molecular formula C19H18F3NO2S and a molecular weight of 381.42 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID56763881
Molecular FormulaC19H18F3NO2S
Molecular Weight381.42 g/mol
Exact Mass381.10
IUPAC Name(2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESCSc1ccccc1C(=O)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H18F3NO2S/c1-26-17-5-3-2-4-15(17)18(24)23-10-11-25-16(12-23)13-6-8-14(9-7-13)19(20,21)22/h2-9,16H,10-12H2,1H3
InChIKeyCHGOHZXVVUYYRU-UHFFFAOYSA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 56763881) is (2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is CSc1ccccc1C(=O)N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is CHGOHZXVVUYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2S/c1-26-17-5-3-2-4-15(17)18(24)23-10-11-25-16(12-23)13-6-8-14(9-7-13)19(20,21)22/h2-9,16H,10-12H2,1H3.
What are the key properties of (2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
(2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 381.42 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 56763881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).