2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone

C7H11F2NOS — CID 103515512

IUPAC2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone
SMILESCC1CSCCN1C(=O)C(F)F
InChIInChI=1S/C7H11F2NOS/c1-5-4-12-3-2-10(5)7(11)6(8)9/h5-6H,2-4H2,1H3
InChIKeyBLQUGUSJOSTOBP-UHFFFAOYSA-N
MW195.23 g/mol
LogP1.22
Rot. Bonds1

About 2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone

2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone (PubChem CID 103515512) has the molecular formula C7H11F2NOS and a molecular weight of 195.23 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone
PubChem CID103515512
Molecular FormulaC7H11F2NOS
Molecular Weight195.23 g/mol
Exact Mass195.05
IUPAC Name2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone
SMILESCC1CSCCN1C(=O)C(F)F
InChIInChI=1S/C7H11F2NOS/c1-5-4-12-3-2-10(5)7(11)6(8)9/h5-6H,2-4H2,1H3
InChIKeyBLQUGUSJOSTOBP-UHFFFAOYSA-N
XLogP1.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-1-thiomorpholin-4-ylpropan-1-one
CID 89027809
N-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide
CID 130417386
2-(1,1,2,2,3,3,3-Heptafluoropropylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 21206559
N,N-diethyl-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide
CID 21235246
1-Thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone
CID 51083055
2,2,2-Trifluoro-1-thiomorpholin-4-ylethanone
CID 62727859
2,2,2-trifluoro-N-methyl-N-(thiolan-3-yl)acetamide
CID 64592249
2,2,2-Trifluoro-1-(3-methylthiomorpholin-4-yl)ethanone
CID 64592649
1-(2,6-Dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone
CID 64592651
2,2-Difluoro-1-thiomorpholin-4-ylethanone
CID 103515270
2,2-difluoro-N-methyl-N-(thiolan-3-yl)acetamide
CID 103515279
1-(2,6-Dimethylthiomorpholin-4-yl)-2,2-difluoroethanone
CID 103515521

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone (CID 103515512) is 2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone is CC1CSCCN1C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone?
The InChIKey is BLQUGUSJOSTOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NOS/c1-5-4-12-3-2-10(5)7(11)6(8)9/h5-6H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone?
2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone has a molecular weight of 195.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 103515512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).