2,4-difluoro-4-(fluoromethyl)thiolane

C5H7F3S — CID 66729796

IUPAC2,4-difluoro-4-(fluoromethyl)thiolane
SMILESFCC1(F)CSC(F)C1
InChIInChI=1S/C5H7F3S/c6-2-5(8)1-4(7)9-3-5/h4H,1-3H2
InChIKeyZKZHSRXCCBKUES-UHFFFAOYSA-N
MW156.17 g/mol
LogP2.10
Rot. Bonds1

About 2,4-difluoro-4-(fluoromethyl)thiolane

2,4-difluoro-4-(fluoromethyl)thiolane (PubChem CID 66729796) has the molecular formula C5H7F3S and a molecular weight of 156.17 g/mol. Its IUPAC name is 2,4-difluoro-4-(fluoromethyl)thiolane.

Molecular Properties

Compound Name2,4-difluoro-4-(fluoromethyl)thiolane
PubChem CID66729796
Molecular FormulaC5H7F3S
Molecular Weight156.17 g/mol
Exact Mass156.02
IUPAC Name2,4-difluoro-4-(fluoromethyl)thiolane
SMILESFCC1(F)CSC(F)C1
InChIInChI=1S/C5H7F3S/c6-2-5(8)1-4(7)9-3-5/h4H,1-3H2
InChIKeyZKZHSRXCCBKUES-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-difluoro-4-(fluoromethyl)thiolane 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 2,4-difluoro-4-(fluoromethyl)thiolane?
The IUPAC name of 2,4-difluoro-4-(fluoromethyl)thiolane (CID 66729796) is 2,4-difluoro-4-(fluoromethyl)thiolane.
What is the SMILES notation for 2,4-difluoro-4-(fluoromethyl)thiolane?
The canonical SMILES for 2,4-difluoro-4-(fluoromethyl)thiolane is FCC1(F)CSC(F)C1.
What is the InChIKey of 2,4-difluoro-4-(fluoromethyl)thiolane?
The InChIKey is ZKZHSRXCCBKUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3S/c6-2-5(8)1-4(7)9-3-5/h4H,1-3H2.
What are the key properties of 2,4-difluoro-4-(fluoromethyl)thiolane?
2,4-difluoro-4-(fluoromethyl)thiolane has a molecular weight of 156.17 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-4-(fluoromethyl)thiolane is sourced from PubChem (CID 66729796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).