(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

Analyze (3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-5-methylmorpholine
CID 57226628
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
CID 82291102
(2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine
CID 124509740
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
3,5-dimethylmorpholine
CID 8862
3-[4-[3-(6-fluoro-2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]phenyl]-5-methylmorpholine
CID 139495369
(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholine
CID 66996015
(3R,5R)-3-(2-chloro-6-phenyl-4-pyridinyl)-5-methylmorpholine
CID 171499175
(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine
CID 158378174
2-(4-fluorophenyl)-3-methylaziridine
CID 71437972
2-methyl-4-(4-phenylphenyl)azetidine
CID 116821976
(2R,4R)-4-(4-fluorophenyl)-2-methyloxolane
CID 102340223

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).