3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one

C14H19F2NO2S — CID 122144375

IUPAC3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)(C)C(F)F)CC(c2ccsc2)O1
InChIInChI=1S/C14H19F2NO2S/c1-9-6-17(13(18)14(2,3)12(15)16)7-11(19-9)10-4-5-20-8-10/h4-5,8-9,11-12H,6-7H2,1-3H3
InChIKeyZUMNBKNHGCJXQY-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.33
Rot. Bonds3

About 3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one

3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one (PubChem CID 122144375) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one
PubChem CID122144375
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)(C)C(F)F)CC(c2ccsc2)O1
InChIInChI=1S/C14H19F2NO2S/c1-9-6-17(13(18)14(2,3)12(15)16)7-11(19-9)10-4-5-20-8-10/h4-5,8-9,11-12H,6-7H2,1-3H3
InChIKeyZUMNBKNHGCJXQY-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one (CID 122144375) is 3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)(C)C(F)F)CC(c2ccsc2)O1.
What is the InChIKey of 3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one?
The InChIKey is ZUMNBKNHGCJXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-9-6-17(13(18)14(2,3)12(15)16)7-11(19-9)10-4-5-20-8-10/h4-5,8-9,11-12H,6-7H2,1-3H3.
What are the key properties of 3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one?
3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one has a molecular weight of 303.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethyl-1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 122144375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).