1-fluoro-4-(2-phenylethylsulfinyl)benzene

C14H13FOS — CID 64715438

IUPAC1-fluoro-4-(2-phenylethylsulfinyl)benzene
SMILESO=S(CCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FOS/c15-13-6-8-14(9-7-13)17(16)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyHYGBJBKWFAHEMI-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.18
Rot. Bonds4

About 1-fluoro-4-(2-phenylethylsulfinyl)benzene

1-fluoro-4-(2-phenylethylsulfinyl)benzene (PubChem CID 64715438) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-fluoro-4-(2-phenylethylsulfinyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2-phenylethylsulfinyl)benzene
PubChem CID64715438
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name1-fluoro-4-(2-phenylethylsulfinyl)benzene
SMILESO=S(CCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FOS/c15-13-6-8-14(9-7-13)17(16)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyHYGBJBKWFAHEMI-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-4-(2-phenylethylsulfinyl)benzene 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 1-fluoro-4-(2-phenylethylsulfinyl)benzene?
The IUPAC name of 1-fluoro-4-(2-phenylethylsulfinyl)benzene (CID 64715438) is 1-fluoro-4-(2-phenylethylsulfinyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2-phenylethylsulfinyl)benzene?
The canonical SMILES for 1-fluoro-4-(2-phenylethylsulfinyl)benzene is O=S(CCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(2-phenylethylsulfinyl)benzene?
The InChIKey is HYGBJBKWFAHEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c15-13-6-8-14(9-7-13)17(16)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 1-fluoro-4-(2-phenylethylsulfinyl)benzene?
1-fluoro-4-(2-phenylethylsulfinyl)benzene has a molecular weight of 248.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-phenylethylsulfinyl)benzene is sourced from PubChem (CID 64715438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).