4-(difluoromethyl)-1,3-oxazolidine-2-thione

C4H5F2NOS — CID 146265954

IUPAC4-(difluoromethyl)-1,3-oxazolidine-2-thione
SMILESFC(F)C1COC(=S)N1
InChIInChI=1S/C4H5F2NOS/c5-3(6)2-1-8-4(9)7-2/h2-3H,1H2,(H,7,9)
InChIKeyQYMDCNFJKKWRLR-UHFFFAOYSA-N
MW153.15 g/mol
LogP0.52
Rot. Bonds1

About 4-(difluoromethyl)-1,3-oxazolidine-2-thione

4-(difluoromethyl)-1,3-oxazolidine-2-thione (PubChem CID 146265954) has the molecular formula C4H5F2NOS and a molecular weight of 153.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3-oxazolidine-2-thione
PubChem CID146265954
Molecular FormulaC4H5F2NOS
Molecular Weight153.15 g/mol
Exact Mass153.01
IUPAC Name4-(difluoromethyl)-1,3-oxazolidine-2-thione
SMILESFC(F)C1COC(=S)N1
InChIInChI=1S/C4H5F2NOS/c5-3(6)2-1-8-4(9)7-2/h2-3H,1H2,(H,7,9)
InChIKeyQYMDCNFJKKWRLR-UHFFFAOYSA-N
XLogP0.52
TPSA21.26 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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,3-oxazolidine-2-thione?
The IUPAC name of 4-(difluoromethyl)-1,3-oxazolidine-2-thione (CID 146265954) is 4-(difluoromethyl)-1,3-oxazolidine-2-thione.
What is the SMILES notation for 4-(difluoromethyl)-1,3-oxazolidine-2-thione?
The canonical SMILES for 4-(difluoromethyl)-1,3-oxazolidine-2-thione is FC(F)C1COC(=S)N1.
What is the InChIKey of 4-(difluoromethyl)-1,3-oxazolidine-2-thione?
The InChIKey is QYMDCNFJKKWRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NOS/c5-3(6)2-1-8-4(9)7-2/h2-3H,1H2,(H,7,9).
What are the key properties of 4-(difluoromethyl)-1,3-oxazolidine-2-thione?
4-(difluoromethyl)-1,3-oxazolidine-2-thione has a molecular weight of 153.15 g/mol, XLogP of 0.52, 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-oxazolidine-2-thione is sourced from PubChem (CID 146265954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).