2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone

C19H23F2NO4 — CID 134842569

IUPAC2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone
SMILESO=C(N1CCOCC1)C(F)(F)C1=COC(COCc2ccccc2)CC1
InChIInChI=1S/C19H23F2NO4/c20-19(21,18(23)22-8-10-24-11-9-22)16-6-7-17(26-13-16)14-25-12-15-4-2-1-3-5-15/h1-5,13,17H,6-12,14H2
InChIKeyDJQBGTWYHVIZBT-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.76
Rot. Bonds6

About 2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone

2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone (PubChem CID 134842569) has the molecular formula C19H23F2NO4 and a molecular weight of 367.39 g/mol. Its IUPAC name is 2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone
PubChem CID134842569
Molecular FormulaC19H23F2NO4
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Name2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone
SMILESO=C(N1CCOCC1)C(F)(F)C1=COC(COCc2ccccc2)CC1
InChIInChI=1S/C19H23F2NO4/c20-19(21,18(23)22-8-10-24-11-9-22)16-6-7-17(26-13-16)14-25-12-15-4-2-1-3-5-15/h1-5,13,17H,6-12,14H2
InChIKeyDJQBGTWYHVIZBT-UHFFFAOYSA-N
XLogP2.76
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl 6-oxo-6-(1,4,7-trioxa-10-azacyclododecan-10-yl)hexanoate
CID 3760481
1-(2,6-Difluorophenyl)-2-morpholino-2-oxoethyl acetate
CID 3781514
4-Butyl-2-phenylmorpholin-3-one
CID 3056627
4-Methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one
CID 10634995
2-Cyclopentyl-1-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]ethanone
CID 53008491
2-(4-Fluorophenyl)-1-(2-(4-(trifluoromethyl)phenyl)morpholino)ethanone
CID 56763872
1-[2-(4-Fluorophenyl)morpholine-4-carbonyl]cyclohexane-1-carbonitrile
CID 56819708
Phenmetrazine N-TFA
CID 91752749
N,N-diethyl-2,2-difluoro-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide
CID 134842682
Benzyl 4-[3-oxo-3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboxylate
CID 178250458
Cyclohexyl(2-phenylmorpholino)methanone
CID 16894670
Cyclohexyl-[4-(2-phenylmethoxyethyl)piperidin-1-yl]methanone
CID 53037938

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone (CID 134842569) is 2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone is O=C(N1CCOCC1)C(F)(F)C1=COC(COCc2ccccc2)CC1.
What is the InChIKey of 2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone?
The InChIKey is DJQBGTWYHVIZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO4/c20-19(21,18(23)22-8-10-24-11-9-22)16-6-7-17(26-13-16)14-25-12-15-4-2-1-3-5-15/h1-5,13,17H,6-12,14H2.
What are the key properties of 2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone?
2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone has a molecular weight of 367.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-morpholin-4-yl-2-[2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanone is sourced from PubChem (CID 134842569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).