(2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine

C18H19ClFNO2 — CID 127031508

IUPAC(2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
SMILESFc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl
InChIInChI=1S/C18H19ClFNO2/c19-17-10-14(6-7-18(17)20)11-21-8-9-22-16(12-21)13-23-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1
InChIKeyJKFUMOGIBBAXGO-INIZCTEOSA-N
MW335.81 g/mol
LogP3.76
Rot. Bonds5

About (2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine

(2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine (PubChem CID 127031508) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is (2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
PubChem CID127031508
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name(2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
SMILESFc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl
InChIInChI=1S/C18H19ClFNO2/c19-17-10-14(6-7-18(17)20)11-21-8-9-22-16(12-21)13-23-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1
InChIKeyJKFUMOGIBBAXGO-INIZCTEOSA-N
XLogP3.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine?
The IUPAC name of (2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine (CID 127031508) is (2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine?
The canonical SMILES for (2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine is Fc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1Cl.
What is the InChIKey of (2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine?
The InChIKey is JKFUMOGIBBAXGO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c19-17-10-14(6-7-18(17)20)11-21-8-9-22-16(12-21)13-23-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1.
What are the key properties of (2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine?
(2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine has a molecular weight of 335.81 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(3-chloro-4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 127031508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).