(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine

C17H16ClF2NO2 — CID 68598775

IUPAC(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine
SMILESFc1cc(F)c(Cl)c(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1
InChIInChI=1S/C17H16ClF2NO2/c18-16-13(20)8-12(19)9-14(16)23-17(11-4-2-1-3-5-11)15-10-21-6-7-22-15/h1-5,8-9,15,17,21H,6-7,10H2/t15-,17-/m0/s1
InChIKeySTZZLGJFUUWOQA-RDJZCZTQSA-N
MW339.77 g/mol
LogP3.73
Rot. Bonds4

About (2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine

(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine (PubChem CID 68598775) has the molecular formula C17H16ClF2NO2 and a molecular weight of 339.77 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine
PubChem CID68598775
Molecular FormulaC17H16ClF2NO2
Molecular Weight339.77 g/mol
Exact Mass339.08
IUPAC Name(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine
SMILESFc1cc(F)c(Cl)c(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1
InChIInChI=1S/C17H16ClF2NO2/c18-16-13(20)8-12(19)9-14(16)23-17(11-4-2-1-3-5-11)15-10-21-6-7-22-15/h1-5,8-9,15,17,21H,6-7,10H2/t15-,17-/m0/s1
InChIKeySTZZLGJFUUWOQA-RDJZCZTQSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 68542716
(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
CID 59166814
2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine
CID 68542729
(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68597724
2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 91482587
(2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine
CID 68546079
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153
5-chloro-2-[[(2R)-morpholin-2-yl]-phenylmethoxy]benzonitrile;hydrochloride
CID 68599466
(2S)-2-[(R)-(4-chloro-2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 68597009

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine (CID 68598775) is (2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine is Fc1cc(F)c(Cl)c(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)c1.
What is the InChIKey of (2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine?
The InChIKey is STZZLGJFUUWOQA-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H16ClF2NO2/c18-16-13(20)8-12(19)9-14(16)23-17(11-4-2-1-3-5-11)15-10-21-6-7-22-15/h1-5,8-9,15,17,21H,6-7,10H2/t15-,17-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine?
(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine has a molecular weight of 339.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 68598775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).