(2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine

C17H16ClF2NO2 — CID 68597015

IUPAC(2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
SMILESFc1cccc(C(Oc2c(F)cccc2Cl)[C@@H]2CNCCO2)c1
InChIInChI=1S/C17H16ClF2NO2/c18-13-5-2-6-14(20)17(13)23-16(15-10-21-7-8-22-15)11-3-1-4-12(19)9-11/h1-6,9,15-16,21H,7-8,10H2/t15-,16?/m0/s1
InChIKeyQDIIDSOPPGBWOP-VYRBHSGPSA-N
MW339.77 g/mol
LogP3.73
Rot. Bonds4

About (2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine

(2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine (PubChem CID 68597015) has the molecular formula C17H16ClF2NO2 and a molecular weight of 339.77 g/mol. Its IUPAC name is (2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
PubChem CID68597015
Molecular FormulaC17H16ClF2NO2
Molecular Weight339.77 g/mol
Exact Mass339.08
IUPAC Name(2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
SMILESFc1cccc(C(Oc2c(F)cccc2Cl)[C@@H]2CNCCO2)c1
InChIInChI=1S/C17H16ClF2NO2/c18-13-5-2-6-14(20)17(13)23-16(15-10-21-7-8-22-15)11-3-1-4-12(19)9-11/h1-6,9,15-16,21H,7-8,10H2/t15-,16?/m0/s1
InChIKeyQDIIDSOPPGBWOP-VYRBHSGPSA-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

(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine
CID 68542729
2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 90905333
(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68597724
(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
(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride
CID 68598484
2-[(S)-(3-chlorophenyl)-(4-fluoro-2-methoxyphenoxy)methyl]morpholine
CID 91423656
(2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
CID 68600973
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride
CID 68597668
2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 91482587

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine?
The IUPAC name of (2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine (CID 68597015) is (2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine is Fc1cccc(C(Oc2c(F)cccc2Cl)[C@@H]2CNCCO2)c1.
What is the InChIKey of (2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine?
The InChIKey is QDIIDSOPPGBWOP-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H16ClF2NO2/c18-13-5-2-6-14(20)17(13)23-16(15-10-21-7-8-22-15)11-3-1-4-12(19)9-11/h1-6,9,15-16,21H,7-8,10H2/t15-,16?/m0/s1.
What are the key properties of (2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine?
(2S)-2-[(2-chloro-6-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-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 68597015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).