1-fluoro-2-(2-phenylethylsulfanyl)benzene

C14H13FS — CID 91349491

IUPAC1-fluoro-2-(2-phenylethylsulfanyl)benzene
SMILESFc1ccccc1SCCc1ccccc1
InChIInChI=1S/C14H13FS/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyAAXVWVCSZMNHDD-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.16
Rot. Bonds4

About 1-fluoro-2-(2-phenylethylsulfanyl)benzene

1-fluoro-2-(2-phenylethylsulfanyl)benzene (PubChem CID 91349491) has the molecular formula C14H13FS and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-fluoro-2-(2-phenylethylsulfanyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(2-phenylethylsulfanyl)benzene
PubChem CID91349491
Molecular FormulaC14H13FS
Molecular Weight232.32 g/mol
Exact Mass232.07
IUPAC Name1-fluoro-2-(2-phenylethylsulfanyl)benzene
SMILESFc1ccccc1SCCc1ccccc1
InChIInChI=1S/C14H13FS/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyAAXVWVCSZMNHDD-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-phenylethylsulfanyl)benzene?
The IUPAC name of 1-fluoro-2-(2-phenylethylsulfanyl)benzene (CID 91349491) is 1-fluoro-2-(2-phenylethylsulfanyl)benzene.
What is the SMILES notation for 1-fluoro-2-(2-phenylethylsulfanyl)benzene?
The canonical SMILES for 1-fluoro-2-(2-phenylethylsulfanyl)benzene is Fc1ccccc1SCCc1ccccc1.
What is the InChIKey of 1-fluoro-2-(2-phenylethylsulfanyl)benzene?
The InChIKey is AAXVWVCSZMNHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FS/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 1-fluoro-2-(2-phenylethylsulfanyl)benzene?
1-fluoro-2-(2-phenylethylsulfanyl)benzene has a molecular weight of 232.32 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-phenylethylsulfanyl)benzene is sourced from PubChem (CID 91349491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).