(2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine

C17H17BrFNO2 — CID 22860746

IUPAC(2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine
SMILESFc1ccc(C2NCCO[C@@H]2OCc2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrFNO2/c18-14-3-1-2-12(10-14)11-22-17-16(20-8-9-21-17)13-4-6-15(19)7-5-13/h1-7,10,16-17,20H,8-9,11H2/t16?,17-/m1/s1
InChIKeyFQACFHTVZVRTBI-ZYMOGRSISA-N
MW366.23 g/mol
LogP3.79
Rot. Bonds4

About (2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine

(2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine (PubChem CID 22860746) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is (2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name(2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine
PubChem CID22860746
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name(2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine
SMILESFc1ccc(C2NCCO[C@@H]2OCc2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrFNO2/c18-14-3-1-2-12(10-14)11-22-17-16(20-8-9-21-17)13-4-6-15(19)7-5-13/h1-7,10,16-17,20H,8-9,11H2/t16?,17-/m1/s1
InChIKeyFQACFHTVZVRTBI-ZYMOGRSISA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine?
The IUPAC name of (2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine (CID 22860746) is (2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine.
What is the SMILES notation for (2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine?
The canonical SMILES for (2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine is Fc1ccc(C2NCCO[C@@H]2OCc2cccc(Br)c2)cc1.
What is the InChIKey of (2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine?
The InChIKey is FQACFHTVZVRTBI-ZYMOGRSISA-N. The full InChI is InChI=1S/C17H17BrFNO2/c18-14-3-1-2-12(10-14)11-22-17-16(20-8-9-21-17)13-4-6-15(19)7-5-13/h1-7,10,16-17,20H,8-9,11H2/t16?,17-/m1/s1.
What are the key properties of (2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine?
(2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine has a molecular weight of 366.23 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(3-bromophenyl)methoxy]-3-(4-fluorophenyl)morpholine is sourced from PubChem (CID 22860746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).