3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one

C8H13F2NOS — CID 130748512

IUPAC3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESCC(C)(C(=O)N1CCSC1)C(F)F
InChIInChI=1S/C8H13F2NOS/c1-8(2,6(9)10)7(12)11-3-4-13-5-11/h6H,3-5H2,1-2H3
InChIKeyMYWFNDUWNRVOHG-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.81
Rot. Bonds2

About 3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one

3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 130748512) has the molecular formula C8H13F2NOS and a molecular weight of 209.26 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID130748512
Molecular FormulaC8H13F2NOS
Molecular Weight209.26 g/mol
Exact Mass209.07
IUPAC Name3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESCC(C)(C(=O)N1CCSC1)C(F)F
InChIInChI=1S/C8H13F2NOS/c1-8(2,6(9)10)7(12)11-3-4-13-5-11/h6H,3-5H2,1-2H3
InChIKeyMYWFNDUWNRVOHG-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 130748512) is 3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one is CC(C)(C(=O)N1CCSC1)C(F)F.
What is the InChIKey of 3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is MYWFNDUWNRVOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NOS/c1-8(2,6(9)10)7(12)11-3-4-13-5-11/h6H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 209.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 130748512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).