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

C17H16ClF2NO2 — CID 68599403

IUPAC(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
SMILESFc1cccc([C@H](Oc2ccc(Cl)cc2F)[C@@H]2CNCCO2)c1
InChIInChI=1S/C17H16ClF2NO2/c18-12-4-5-15(14(20)9-12)23-17(16-10-21-6-7-22-16)11-2-1-3-13(19)8-11/h1-5,8-9,16-17,21H,6-7,10H2/t16-,17-/m0/s1
InChIKeyMVRFJSVSSHBRJE-IRXDYDNUSA-N
MW339.77 g/mol
LogP3.73
Rot. Bonds4

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

(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine (PubChem CID 68599403) has the molecular formula C17H16ClF2NO2 and a molecular weight of 339.77 g/mol. Its IUPAC name is (2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
PubChem CID68599403
Molecular FormulaC17H16ClF2NO2
Molecular Weight339.77 g/mol
Exact Mass339.08
IUPAC Name(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
SMILESFc1cccc([C@H](Oc2ccc(Cl)cc2F)[C@@H]2CNCCO2)c1
InChIInChI=1S/C17H16ClF2NO2/c18-12-4-5-15(14(20)9-12)23-17(16-10-21-6-7-22-16)11-2-1-3-13(19)8-11/h1-5,8-9,16-17,21H,6-7,10H2/t16-,17-/m0/s1
InChIKeyMVRFJSVSSHBRJE-IRXDYDNUSA-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

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Related Compounds

2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
CID 91423656
(2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68597015
2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 90905333
2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 91482587
(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine
CID 68596273
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride
CID 68598484
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
(2S)-2-[(4-chloro-2-methoxyphenoxy)-(3-methoxyphenyl)methyl]morpholine
CID 68598616
2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride
CID 68597668
(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68597724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine (CID 68599403) is (2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine is Fc1cccc([C@H](Oc2ccc(Cl)cc2F)[C@@H]2CNCCO2)c1.
What is the InChIKey of (2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine?
The InChIKey is MVRFJSVSSHBRJE-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H16ClF2NO2/c18-12-4-5-15(14(20)9-12)23-17(16-10-21-6-7-22-16)11-2-1-3-13(19)8-11/h1-5,8-9,16-17,21H,6-7,10H2/t16-,17-/m0/s1.
What are the key properties of (2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine?
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]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)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 68599403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).