5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane

C16H14ClFOS — CID 86678044

IUPAC5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane
SMILESFc1ccc(C2(c3ccccc3)OC(CCl)CS2)cc1
InChIInChI=1S/C16H14ClFOS/c17-10-15-11-20-16(19-15,12-4-2-1-3-5-12)13-6-8-14(18)9-7-13/h1-9,15H,10-11H2
InChIKeyLUPDUQAHNRDWSR-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.40
Rot. Bonds3

About 5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane

5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane (PubChem CID 86678044) has the molecular formula C16H14ClFOS and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane
PubChem CID86678044
Molecular FormulaC16H14ClFOS
Molecular Weight308.81 g/mol
Exact Mass308.04
IUPAC Name5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane
SMILESFc1ccc(C2(c3ccccc3)OC(CCl)CS2)cc1
InChIInChI=1S/C16H14ClFOS/c17-10-15-11-20-16(19-15,12-4-2-1-3-5-12)13-6-8-14(18)9-7-13/h1-9,15H,10-11H2
InChIKeyLUPDUQAHNRDWSR-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane 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 5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane?
The IUPAC name of 5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane (CID 86678044) is 5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane.
What is the SMILES notation for 5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane?
The canonical SMILES for 5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane is Fc1ccc(C2(c3ccccc3)OC(CCl)CS2)cc1.
What is the InChIKey of 5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane?
The InChIKey is LUPDUQAHNRDWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFOS/c17-10-15-11-20-16(19-15,12-4-2-1-3-5-12)13-6-8-14(18)9-7-13/h1-9,15H,10-11H2.
What are the key properties of 5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane?
5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane has a molecular weight of 308.81 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(4-fluorophenyl)-2-phenyl-1,3-oxathiolane is sourced from PubChem (CID 86678044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).