2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one

C9H16FNOS — CID 130165379

IUPAC2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one
SMILESCC1CSCCN1C(=O)C(C)(C)F
InChIInChI=1S/C9H16FNOS/c1-7-6-13-5-4-11(7)8(12)9(2,3)10/h7H,4-6H2,1-3H3
InChIKeyIDAHIIJCAAVNCH-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.70
Rot. Bonds1

About 2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one

2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one (PubChem CID 130165379) has the molecular formula C9H16FNOS and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one
PubChem CID130165379
Molecular FormulaC9H16FNOS
Molecular Weight205.30 g/mol
Exact Mass205.09
IUPAC Name2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one
SMILESCC1CSCCN1C(=O)C(C)(C)F
InChIInChI=1S/C9H16FNOS/c1-7-6-13-5-4-11(7)8(12)9(2,3)10/h7H,4-6H2,1-3H3
InChIKeyIDAHIIJCAAVNCH-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-2-methyl-1-thiomorpholin-4-ylpropan-1-one
CID 132137652
2-fluoro-1-[(2R)-2-methyl-4-methylsulfanylpiperidin-1-yl]ethanone
CID 169997336
2-Methyl-3-athyl-4-acetylthiomorpholin
CID 12517847
2,2,2-Trifluoro-1-(3-methylthiomorpholin-4-yl)ethanone
CID 64592649
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,4-dithiane-2-carboxamide
CID 86998538
2,2-Difluoro-1-(3-methylthiomorpholin-4-yl)ethanone
CID 103515512
1-(2,3-Dimethylthiomorpholin-4-yl)-2,2-difluoroethanone
CID 103516088
1-(2,2-Dimethylthiomorpholin-4-yl)-2,2-difluoroethanone
CID 103516090
1-(2,3-Dimethylthiomorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103733871
2,2,3,3-Tetrafluoro-1-(3-methylthiomorpholin-4-yl)propan-1-one
CID 103733919
1-(2,2-Dimethylthiomorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103739962
2,2,3,3,3-Pentafluoro-1-(3-methylthiomorpholin-4-yl)propan-1-one
CID 108095066

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one (CID 130165379) is 2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one is CC1CSCCN1C(=O)C(C)(C)F.
What is the InChIKey of 2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one?
The InChIKey is IDAHIIJCAAVNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNOS/c1-7-6-13-5-4-11(7)8(12)9(2,3)10/h7H,4-6H2,1-3H3.
What are the key properties of 2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one?
2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one has a molecular weight of 205.30 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(3-methylthiomorpholin-4-yl)propan-1-one is sourced from PubChem (CID 130165379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).