1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one

C9H16FNO2S — CID 126794051

IUPAC1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)N1CCOC(CF)C1
InChIInChI=1S/C9H16FNO2S/c1-7(14-2)9(12)11-3-4-13-8(5-10)6-11/h7-8H,3-6H2,1-2H3
InChIKeyOGZHKYXFHIMQMT-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.93
Rot. Bonds3

About 1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one

1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one (PubChem CID 126794051) has the molecular formula C9H16FNO2S and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one
PubChem CID126794051
Molecular FormulaC9H16FNO2S
Molecular Weight221.30 g/mol
Exact Mass221.09
IUPAC Name1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one
SMILESCSC(C)C(=O)N1CCOC(CF)C1
InChIInChI=1S/C9H16FNO2S/c1-7(14-2)9(12)11-3-4-13-8(5-10)6-11/h7-8H,3-6H2,1-2H3
InChIKeyOGZHKYXFHIMQMT-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-Dimethylmorpholin-4-yl)-2-(2-methoxyethylsulfanyl)ethanone
CID 45816513
1-(2,2-Dimethylmorpholin-4-yl)-2-methylsulfanylpropan-1-one
CID 45819888
1-(2-Methylmorpholin-4-yl)-2-methylsulfonylpropan-1-one
CID 45822096
N-methyl-2-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-ylpropanamide
CID 84592447
1-Morpholin-4-yl-2-(trifluoromethylsulfanyl)propan-1-one
CID 45815966
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 51099485
(2S)-1-morpholin-4-yl-2-(trifluoromethylsulfanyl)propan-1-one
CID 93613931
(2R)-1-morpholin-4-yl-2-(trifluoromethylsulfanyl)propan-1-one
CID 93613932
2-Fluoro-2-methyl-1-(2-methylmorpholin-4-yl)propan-1-one
CID 130165031
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluoro-2-methylpropan-1-one
CID 130165936
2-[2-(Dimethylamino)ethylsulfanyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone
CID 167803951
N,N-dimethyl-2-{4-[3-(methylthio)propanoyl]-2-morpholinyl}ethanamine
CID 45224386

Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one?
The IUPAC name of 1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one (CID 126794051) is 1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one.
What is the SMILES notation for 1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one?
The canonical SMILES for 1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one is CSC(C)C(=O)N1CCOC(CF)C1.
What is the InChIKey of 1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one?
The InChIKey is OGZHKYXFHIMQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2S/c1-7(14-2)9(12)11-3-4-13-8(5-10)6-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one?
1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one has a molecular weight of 221.30 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)morpholin-4-yl]-2-methylsulfanylpropan-1-one is sourced from PubChem (CID 126794051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).