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

C10H15F2NOS — CID 164660138

IUPAC2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone
SMILESCN1CCSCC1C(=O)CC1CC1(F)F
InChIInChI=1S/C10H15F2NOS/c1-13-2-3-15-6-8(13)9(14)4-7-5-10(7,11)12/h7-8H,2-6H2,1H3
InChIKeyPTCJKZHCAKXOMG-UHFFFAOYSA-N
MW235.30 g/mol
LogP1.65
Rot. Bonds3

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

2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone (PubChem CID 164660138) has the molecular formula C10H15F2NOS and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone
PubChem CID164660138
Molecular FormulaC10H15F2NOS
Molecular Weight235.30 g/mol
Exact Mass235.08
IUPAC Name2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone
SMILESCN1CCSCC1C(=O)CC1CC1(F)F
InChIInChI=1S/C10H15F2NOS/c1-13-2-3-15-6-8(13)9(14)4-7-5-10(7,11)12/h7-8H,2-6H2,1H3
InChIKeyPTCJKZHCAKXOMG-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone (CID 164660138) is 2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone is CN1CCSCC1C(=O)CC1CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone?
The InChIKey is PTCJKZHCAKXOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NOS/c1-13-2-3-15-6-8(13)9(14)4-7-5-10(7,11)12/h7-8H,2-6H2,1H3.
What are the key properties of 2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone?
2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone has a molecular weight of 235.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-1-(4-methylthiomorpholin-3-yl)ethanone is sourced from PubChem (CID 164660138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).