1-fluoro-4-(3-methylsulfanylbutyl)benzene

C11H15FS — CID 162353136

IUPAC1-fluoro-4-(3-methylsulfanylbutyl)benzene
SMILESCSC(C)CCc1ccc(F)cc1
InChIInChI=1S/C11H15FS/c1-9(13-2)3-4-10-5-7-11(12)8-6-10/h5-9H,3-4H2,1-2H3
InChIKeyLEGJZMMDTVFVSP-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.51
Rot. Bonds4

About 1-fluoro-4-(3-methylsulfanylbutyl)benzene

1-fluoro-4-(3-methylsulfanylbutyl)benzene (PubChem CID 162353136) has the molecular formula C11H15FS and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-fluoro-4-(3-methylsulfanylbutyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(3-methylsulfanylbutyl)benzene
PubChem CID162353136
Molecular FormulaC11H15FS
Molecular Weight198.31 g/mol
Exact Mass198.09
IUPAC Name1-fluoro-4-(3-methylsulfanylbutyl)benzene
SMILESCSC(C)CCc1ccc(F)cc1
InChIInChI=1S/C11H15FS/c1-9(13-2)3-4-10-5-7-11(12)8-6-10/h5-9H,3-4H2,1-2H3
InChIKeyLEGJZMMDTVFVSP-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(3-methylsulfanylbutyl)benzene?
The IUPAC name of 1-fluoro-4-(3-methylsulfanylbutyl)benzene (CID 162353136) is 1-fluoro-4-(3-methylsulfanylbutyl)benzene.
What is the SMILES notation for 1-fluoro-4-(3-methylsulfanylbutyl)benzene?
The canonical SMILES for 1-fluoro-4-(3-methylsulfanylbutyl)benzene is CSC(C)CCc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(3-methylsulfanylbutyl)benzene?
The InChIKey is LEGJZMMDTVFVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FS/c1-9(13-2)3-4-10-5-7-11(12)8-6-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-fluoro-4-(3-methylsulfanylbutyl)benzene?
1-fluoro-4-(3-methylsulfanylbutyl)benzene has a molecular weight of 198.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(3-methylsulfanylbutyl)benzene is sourced from PubChem (CID 162353136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).