1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone

C18H16F3NO2 — CID 95175510

IUPAC1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H16F3NO2/c1-11(23)18-14(20)3-2-4-16(18)22-7-8-24-17(10-22)12-5-6-13(19)15(21)9-12/h2-6,9,17H,7-8,10H2,1H3/t17-/m1/s1
InChIKeyVDPUMEHIHIGSCU-QGZVFWFLSA-N
MW335.33 g/mol
LogP3.88
Rot. Bonds3

About 1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone

1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone (PubChem CID 95175510) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone
PubChem CID95175510
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H16F3NO2/c1-11(23)18-14(20)3-2-4-16(18)22-7-8-24-17(10-22)12-5-6-13(19)15(21)9-12/h2-6,9,17H,7-8,10H2,1H3/t17-/m1/s1
InChIKeyVDPUMEHIHIGSCU-QGZVFWFLSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2R)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-6-fluorophenyl]ethanone
CID 125138569
4-acetyl-2-[2-(3,4-difluorophenyl)morpholin-4-yl]benzonitrile
CID 133457479
1-[2-fluoro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 62974493
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine
CID 47983349
3-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122065502
4-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-N-ethylpyridine-2-carboxamide
CID 97028949
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315578
1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone
CID 28787522
(2S)-2-(3,4-difluorophenyl)-N-[(1R,2R)-2-methylcyclopropyl]morpholine-4-carboxamide
CID 129425263
1-[2-(2-ethylthiomorpholin-4-yl)-6-fluorophenyl]ethanone
CID 115658685

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone (CID 95175510) is 1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of 1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone?
The InChIKey is VDPUMEHIHIGSCU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-11(23)18-14(20)3-2-4-16(18)22-7-8-24-17(10-22)12-5-6-13(19)15(21)9-12/h2-6,9,17H,7-8,10H2,1H3/t17-/m1/s1.
What are the key properties of 1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone?
1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone has a molecular weight of 335.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone is sourced from PubChem (CID 95175510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).