(5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine

C13H18FNO — CID 67655096

IUPAC(5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine
SMILESCC1C(c2cccc(F)c2)OC[C@H](C)N1C
InChIInChI=1S/C13H18FNO/c1-9-8-16-13(10(2)15(9)3)11-5-4-6-12(14)7-11/h4-7,9-10,13H,8H2,1-3H3/t9-,10?,13?/m0/s1
InChIKeyWFPZWMWWDUBDBQ-JBLZRFIASA-N
MW223.29 g/mol
LogP2.61
Rot. Bonds1

About (5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine

(5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine (PubChem CID 67655096) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine.

Molecular Properties

Compound Name(5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine
PubChem CID67655096
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine
SMILESCC1C(c2cccc(F)c2)OC[C@H](C)N1C
InChIInChI=1S/C13H18FNO/c1-9-8-16-13(10(2)15(9)3)11-5-4-6-12(14)7-11/h4-7,9-10,13H,8H2,1-3H3/t9-,10?,13?/m0/s1
InChIKeyWFPZWMWWDUBDBQ-JBLZRFIASA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine?
The IUPAC name of (5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine (CID 67655096) is (5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine.
What is the SMILES notation for (5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine?
The canonical SMILES for (5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine is CC1C(c2cccc(F)c2)OC[C@H](C)N1C.
What is the InChIKey of (5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine?
The InChIKey is WFPZWMWWDUBDBQ-JBLZRFIASA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-8-16-13(10(2)15(9)3)11-5-4-6-12(14)7-11/h4-7,9-10,13H,8H2,1-3H3/t9-,10?,13?/m0/s1.
What are the key properties of (5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine?
(5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine has a molecular weight of 223.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-fluorophenyl)-3,4,5-trimethylmorpholine is sourced from PubChem (CID 67655096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).