(2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine

C18H20FNO2 — CID 18662983

IUPAC(2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine
SMILESFc1cccc(CCO[C@@H]2OCCN[C@H]2c2ccccc2)c1
InChIInChI=1S/C18H20FNO2/c19-16-8-4-5-14(13-16)9-11-21-18-17(20-10-12-22-18)15-6-2-1-3-7-15/h1-8,13,17-18,20H,9-12H2/t17-,18+/m0/s1
InChIKeyWAOZRFMAMPTXTG-ZWKOTPCHSA-N
MW301.36 g/mol
LogP3.07
Rot. Bonds5

About (2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine

(2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine (PubChem CID 18662983) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine.

Molecular Properties

Compound Name(2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine
PubChem CID18662983
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine
SMILESFc1cccc(CCO[C@@H]2OCCN[C@H]2c2ccccc2)c1
InChIInChI=1S/C18H20FNO2/c19-16-8-4-5-14(13-16)9-11-21-18-17(20-10-12-22-18)15-6-2-1-3-7-15/h1-8,13,17-18,20H,9-12H2/t17-,18+/m0/s1
InChIKeyWAOZRFMAMPTXTG-ZWKOTPCHSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine?
The IUPAC name of (2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine (CID 18662983) is (2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine.
What is the SMILES notation for (2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine?
The canonical SMILES for (2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine is Fc1cccc(CCO[C@@H]2OCCN[C@H]2c2ccccc2)c1.
What is the InChIKey of (2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine?
The InChIKey is WAOZRFMAMPTXTG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-16-8-4-5-14(13-16)9-11-21-18-17(20-10-12-22-18)15-6-2-1-3-7-15/h1-8,13,17-18,20H,9-12H2/t17-,18+/m0/s1.
What are the key properties of (2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine?
(2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine has a molecular weight of 301.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[2-(3-fluorophenyl)ethoxy]-3-phenylmorpholine is sourced from PubChem (CID 18662983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).