2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol

C8H15F2NOS — CID 131132212

IUPAC2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol
SMILESCC1CN(CC(F)(F)CO)CCS1
InChIInChI=1S/C8H15F2NOS/c1-7-4-11(2-3-13-7)5-8(9,10)6-12/h7,12H,2-6H2,1H3
InChIKeyQJMGBWULBFXQMM-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.05
Rot. Bonds3

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

2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol (PubChem CID 131132212) has the molecular formula C8H15F2NOS and a molecular weight of 211.28 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol
PubChem CID131132212
Molecular FormulaC8H15F2NOS
Molecular Weight211.28 g/mol
Exact Mass211.08
IUPAC Name2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol
SMILESCC1CN(CC(F)(F)CO)CCS1
InChIInChI=1S/C8H15F2NOS/c1-7-4-11(2-3-13-7)5-8(9,10)6-12/h7,12H,2-6H2,1H3
InChIKeyQJMGBWULBFXQMM-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol (CID 131132212) is 2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol is CC1CN(CC(F)(F)CO)CCS1.
What is the InChIKey of 2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol?
The InChIKey is QJMGBWULBFXQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NOS/c1-7-4-11(2-3-13-7)5-8(9,10)6-12/h7,12H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol?
2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-methylthiomorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 131132212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).