(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine

C11H14FNO — CID 95437543

IUPAC(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine
SMILESC[C@@H]1COC[C@H](c2ccc(F)cc2)N1
InChIInChI=1S/C11H14FNO/c1-8-6-14-7-11(13-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyYZQOHRNVGWMZPB-LDYMZIIASA-N
MW195.24 g/mol
LogP1.88
Rot. Bonds1

About (3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine

(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine (PubChem CID 95437543) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine.

Molecular Properties

Compound Name(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine
PubChem CID95437543
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine
SMILESC[C@@H]1COC[C@H](c2ccc(F)cc2)N1
InChIInChI=1S/C11H14FNO/c1-8-6-14-7-11(13-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyYZQOHRNVGWMZPB-LDYMZIIASA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine?
The IUPAC name of (3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine (CID 95437543) is (3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine.
What is the SMILES notation for (3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine?
The canonical SMILES for (3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine is C[C@@H]1COC[C@H](c2ccc(F)cc2)N1.
What is the InChIKey of (3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine?
The InChIKey is YZQOHRNVGWMZPB-LDYMZIIASA-N. The full InChI is InChI=1S/C11H14FNO/c1-8-6-14-7-11(13-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1.
What are the key properties of (3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine?
(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine has a molecular weight of 195.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine is sourced from PubChem (CID 95437543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).