4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene

C11H13FS — CID 142302285

IUPAC4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene
SMILESCc1ccc(SC2CCC2)cc1F
InChIInChI=1S/C11H13FS/c1-8-5-6-10(7-11(8)12)13-9-3-2-4-9/h5-7,9H,2-4H2,1H3
InChIKeyAKBBJRMRJYMNGY-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.78
Rot. Bonds2

About 4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene

4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene (PubChem CID 142302285) has the molecular formula C11H13FS and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene
PubChem CID142302285
Molecular FormulaC11H13FS
Molecular Weight196.29 g/mol
Exact Mass196.07
IUPAC Name4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene
SMILESCc1ccc(SC2CCC2)cc1F
InChIInChI=1S/C11H13FS/c1-8-5-6-10(7-11(8)12)13-9-3-2-4-9/h5-7,9H,2-4H2,1H3
InChIKeyAKBBJRMRJYMNGY-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene?
The IUPAC name of 4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene (CID 142302285) is 4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene is Cc1ccc(SC2CCC2)cc1F.
What is the InChIKey of 4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene?
The InChIKey is AKBBJRMRJYMNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FS/c1-8-5-6-10(7-11(8)12)13-9-3-2-4-9/h5-7,9H,2-4H2,1H3.
What are the key properties of 4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene?
4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene has a molecular weight of 196.29 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutylsulfanyl-2-fluoro-1-methylbenzene is sourced from PubChem (CID 142302285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).