1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone

C20H22FNO3 — CID 132770482

IUPAC1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCOC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C20H22FNO3/c21-18-9-5-4-8-17(18)12-19(24)22-10-11-25-20(14-22,15-23)13-16-6-2-1-3-7-16/h1-9,23H,10-15H2
InChIKeyTVFADPUYTGIIFB-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.20
Rot. Bonds5

About 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone

1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 132770482) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
PubChem CID132770482
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCOC(CO)(Cc2ccccc2)C1
InChIInChI=1S/C20H22FNO3/c21-18-9-5-4-8-17(18)12-19(24)22-10-11-25-20(14-22,15-23)13-16-6-2-1-3-7-16/h1-9,23H,10-15H2
InChIKeyTVFADPUYTGIIFB-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 132777548
1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770873
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770875
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone
CID 132649139
1-[2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 171699942
[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 132649107
3-[2-benzyl-2-(hydroxymethyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
CID 132765032
1-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 110798668
2-(2-fluorophenyl)-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125021964
2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone
CID 110739662
2-(2-fluorophenyl)-1-(1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110203853
1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 132765108

Frequently Asked Questions

What is the IUPAC name of 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone (CID 132770482) is 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone is O=C(Cc1ccccc1F)N1CCOC(CO)(Cc2ccccc2)C1.
What is the InChIKey of 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is TVFADPUYTGIIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-18-9-5-4-8-17(18)12-19(24)22-10-11-25-20(14-22,15-23)13-16-6-2-1-3-7-16/h1-9,23H,10-15H2.
What are the key properties of 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone?
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 343.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 132770482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).