(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone

C18H18FNO3 — CID 93327921

IUPAC(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCO[C@@H](COc2ccccc2)C1
InChIInChI=1S/C18H18FNO3/c19-15-6-4-5-14(11-15)18(21)20-9-10-22-17(12-20)13-23-16-7-2-1-3-8-16/h1-8,11,17H,9-10,12-13H2/t17-/m1/s1
InChIKeyMCGYLSZZQKNADE-QGZVFWFLSA-N
MW315.34 g/mol
LogP2.75
Rot. Bonds4

About (3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone

(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone (PubChem CID 93327921) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
PubChem CID93327921
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCO[C@@H](COc2ccccc2)C1
InChIInChI=1S/C18H18FNO3/c19-15-6-4-5-14(11-15)18(21)20-9-10-22-17(12-20)13-23-16-7-2-1-3-8-16/h1-8,11,17H,9-10,12-13H2/t17-/m1/s1
InChIKeyMCGYLSZZQKNADE-QGZVFWFLSA-N
XLogP2.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614
3-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carbonyl]benzonitrile
CID 92759892
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
CID 46156758
(3,4-difluorophenyl)-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]methanone
CID 46100398
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 46420143
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42849205
(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 92988161
[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42861807

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone (CID 93327921) is (3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone is O=C(c1cccc(F)c1)N1CCO[C@@H](COc2ccccc2)C1.
What is the InChIKey of (3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone?
The InChIKey is MCGYLSZZQKNADE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-15-6-4-5-14(11-15)18(21)20-9-10-22-17(12-20)13-23-16-7-2-1-3-8-16/h1-8,11,17H,9-10,12-13H2/t17-/m1/s1.
What are the key properties of (3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone?
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone has a molecular weight of 315.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 93327921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).