4-(difluoromethyl)-1,3-thiazolidin-2-one

C4H5F2NOS — CID 146266777

IUPAC4-(difluoromethyl)-1,3-thiazolidin-2-one
SMILESO=C1NC(C(F)F)CS1
InChIInChI=1S/C4H5F2NOS/c5-3(6)2-1-9-4(8)7-2/h2-3H,1H2,(H,7,8)
InChIKeyAOFNHBPTGRBFFX-UHFFFAOYSA-N
MW153.15 g/mol
LogP1.08
Rot. Bonds1

About 4-(difluoromethyl)-1,3-thiazolidin-2-one

4-(difluoromethyl)-1,3-thiazolidin-2-one (PubChem CID 146266777) has the molecular formula C4H5F2NOS and a molecular weight of 153.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3-thiazolidin-2-one
PubChem CID146266777
Molecular FormulaC4H5F2NOS
Molecular Weight153.15 g/mol
Exact Mass153.01
IUPAC Name4-(difluoromethyl)-1,3-thiazolidin-2-one
SMILESO=C1NC(C(F)F)CS1
InChIInChI=1S/C4H5F2NOS/c5-3(6)2-1-9-4(8)7-2/h2-3H,1H2,(H,7,8)
InChIKeyAOFNHBPTGRBFFX-UHFFFAOYSA-N
XLogP1.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,3-thiazolidin-2-one?
The IUPAC name of 4-(difluoromethyl)-1,3-thiazolidin-2-one (CID 146266777) is 4-(difluoromethyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 4-(difluoromethyl)-1,3-thiazolidin-2-one is O=C1NC(C(F)F)CS1.
What is the InChIKey of 4-(difluoromethyl)-1,3-thiazolidin-2-one?
The InChIKey is AOFNHBPTGRBFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NOS/c5-3(6)2-1-9-4(8)7-2/h2-3H,1H2,(H,7,8).
What are the key properties of 4-(difluoromethyl)-1,3-thiazolidin-2-one?
4-(difluoromethyl)-1,3-thiazolidin-2-one has a molecular weight of 153.15 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 146266777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).