(3S)-3-(4-fluorophenyl)-4-methylmorpholine

C11H14FNO — CID 22870754

IUPAC(3S)-3-(4-fluorophenyl)-4-methylmorpholine
SMILESCN1CCOC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-13-6-7-14-8-11(13)9-2-4-10(12)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m1/s1
InChIKeyRXXYJBUUGPAHIJ-LLVKDONJSA-N
MW195.24 g/mol
LogP1.83
Rot. Bonds1

About (3S)-3-(4-fluorophenyl)-4-methylmorpholine

(3S)-3-(4-fluorophenyl)-4-methylmorpholine (PubChem CID 22870754) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (3S)-3-(4-fluorophenyl)-4-methylmorpholine.

Molecular Properties

Compound Name(3S)-3-(4-fluorophenyl)-4-methylmorpholine
PubChem CID22870754
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(3S)-3-(4-fluorophenyl)-4-methylmorpholine
SMILESCN1CCOC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-13-6-7-14-8-11(13)9-2-4-10(12)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m1/s1
InChIKeyRXXYJBUUGPAHIJ-LLVKDONJSA-N
XLogP1.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluorophenyl)-4-methylmorpholine?
The IUPAC name of (3S)-3-(4-fluorophenyl)-4-methylmorpholine (CID 22870754) is (3S)-3-(4-fluorophenyl)-4-methylmorpholine.
What is the SMILES notation for (3S)-3-(4-fluorophenyl)-4-methylmorpholine?
The canonical SMILES for (3S)-3-(4-fluorophenyl)-4-methylmorpholine is CN1CCOC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (3S)-3-(4-fluorophenyl)-4-methylmorpholine?
The InChIKey is RXXYJBUUGPAHIJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14FNO/c1-13-6-7-14-8-11(13)9-2-4-10(12)5-3-9/h2-5,11H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of (3S)-3-(4-fluorophenyl)-4-methylmorpholine?
(3S)-3-(4-fluorophenyl)-4-methylmorpholine has a molecular weight of 195.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluorophenyl)-4-methylmorpholine is sourced from PubChem (CID 22870754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).