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

C17H16Cl2FNO2 — CID 91482587

IUPAC2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
SMILESFc1ccc(O[C@@H](c2ccc(Cl)cc2)C2CNCCO2)c(Cl)c1
InChIInChI=1S/C17H16Cl2FNO2/c18-12-3-1-11(2-4-12)17(16-10-21-7-8-22-16)23-15-6-5-13(20)9-14(15)19/h1-6,9,16-17,21H,7-8,10H2/t16?,17-/m0/s1
InChIKeyKVFVGRNOPLJMGE-DJNXLDHESA-N
MW356.22 g/mol
LogP4.24
Rot. Bonds4

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

2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine (PubChem CID 91482587) has the molecular formula C17H16Cl2FNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
PubChem CID91482587
Molecular FormulaC17H16Cl2FNO2
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
SMILESFc1ccc(O[C@@H](c2ccc(Cl)cc2)C2CNCCO2)c(Cl)c1
InChIInChI=1S/C17H16Cl2FNO2/c18-12-3-1-11(2-4-12)17(16-10-21-7-8-22-16)23-15-6-5-13(20)9-14(15)19/h1-6,9,16-17,21H,7-8,10H2/t16?,17-/m0/s1
InChIKeyKVFVGRNOPLJMGE-DJNXLDHESA-N
XLogP4.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine
CID 68596273
(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methoxyphenyl)methyl]morpholine;hydrochloride
CID 68598644
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[(S)-(2-bromo-4-chlorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 68597861
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
CID 91423656
(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 68542716
(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine
CID 68598775
(2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine
CID 68546079
(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68597724
(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
CID 59166814

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine?
The IUPAC name of 2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine (CID 91482587) is 2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine.
What is the SMILES notation for 2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine?
The canonical SMILES for 2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine is Fc1ccc(O[C@@H](c2ccc(Cl)cc2)C2CNCCO2)c(Cl)c1.
What is the InChIKey of 2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine?
The InChIKey is KVFVGRNOPLJMGE-DJNXLDHESA-N. The full InChI is InChI=1S/C17H16Cl2FNO2/c18-12-3-1-11(2-4-12)17(16-10-21-7-8-22-16)23-15-6-5-13(20)9-14(15)19/h1-6,9,16-17,21H,7-8,10H2/t16?,17-/m0/s1.
What are the key properties of 2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine?
2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine has a molecular weight of 356.22 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine is sourced from PubChem (CID 91482587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).