4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine

C18H18F3NOS — CID 69130417

IUPAC4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine
SMILESFC(F)(F)c1ccccc1S[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H18F3NOS/c19-18(20,21)15-8-4-5-9-16(15)24-17(14-6-2-1-3-7-14)22-10-12-23-13-11-22/h1-9,17H,10-13H2/t17-/m0/s1
InChIKeyIXBRFNOEBYYSSN-KRWDZBQOSA-N
MW353.41 g/mol
LogP4.83
Rot. Bonds4

About 4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine

4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine (PubChem CID 69130417) has the molecular formula C18H18F3NOS and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine.

Molecular Properties

Compound Name4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine
PubChem CID69130417
Molecular FormulaC18H18F3NOS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC Name4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine
SMILESFC(F)(F)c1ccccc1S[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H18F3NOS/c19-18(20,21)15-8-4-5-9-16(15)24-17(14-6-2-1-3-7-14)22-10-12-23-13-11-22/h1-9,17H,10-13H2/t17-/m0/s1
InChIKeyIXBRFNOEBYYSSN-KRWDZBQOSA-N
XLogP4.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine?
The IUPAC name of 4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine (CID 69130417) is 4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine.
What is the SMILES notation for 4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine?
The canonical SMILES for 4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine is FC(F)(F)c1ccccc1S[C@@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine?
The InChIKey is IXBRFNOEBYYSSN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18F3NOS/c19-18(20,21)15-8-4-5-9-16(15)24-17(14-6-2-1-3-7-14)22-10-12-23-13-11-22/h1-9,17H,10-13H2/t17-/m0/s1.
What are the key properties of 4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine?
4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine has a molecular weight of 353.41 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine is sourced from PubChem (CID 69130417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).