2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine

C19H20F3NOS — CID 153267333

IUPAC2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine
SMILESCC1(C(Sc2ccccc2C(F)(F)F)c2ccccc2)CNCCO1
InChIInChI=1S/C19H20F3NOS/c1-18(13-23-11-12-24-18)17(14-7-3-2-4-8-14)25-16-10-6-5-9-15(16)19(20,21)22/h2-10,17,23H,11-13H2,1H3
InChIKeyWWKOMOJTADRZHO-UHFFFAOYSA-N
MW367.44 g/mol
LogP4.92
Rot. Bonds4

About 2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine

2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine (PubChem CID 153267333) has the molecular formula C19H20F3NOS and a molecular weight of 367.44 g/mol. Its IUPAC name is 2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine.

Molecular Properties

Compound Name2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine
PubChem CID153267333
Molecular FormulaC19H20F3NOS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine
SMILESCC1(C(Sc2ccccc2C(F)(F)F)c2ccccc2)CNCCO1
InChIInChI=1S/C19H20F3NOS/c1-18(13-23-11-12-24-18)17(14-7-3-2-4-8-14)25-16-10-6-5-9-15(16)19(20,21)22/h2-10,17,23H,11-13H2,1H3
InChIKeyWWKOMOJTADRZHO-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine?
The IUPAC name of 2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine (CID 153267333) is 2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine.
What is the SMILES notation for 2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine?
The canonical SMILES for 2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine is CC1(C(Sc2ccccc2C(F)(F)F)c2ccccc2)CNCCO1.
What is the InChIKey of 2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine?
The InChIKey is WWKOMOJTADRZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NOS/c1-18(13-23-11-12-24-18)17(14-7-3-2-4-8-14)25-16-10-6-5-9-15(16)19(20,21)22/h2-10,17,23H,11-13H2,1H3.
What are the key properties of 2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine?
2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine has a molecular weight of 367.44 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine is sourced from PubChem (CID 153267333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).