2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene

C9H11FS — CID 130850117

IUPAC2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene
SMILESCSc1cc(C)cc(C)c1F
InChIInChI=1S/C9H11FS/c1-6-4-7(2)9(10)8(5-6)11-3/h4-5H,1-3H3
InChIKeyRRJHKCNVBXIHOP-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.16
Rot. Bonds1

About 2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene

2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene (PubChem CID 130850117) has the molecular formula C9H11FS and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene.

Molecular Properties

Compound Name2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene
PubChem CID130850117
Molecular FormulaC9H11FS
Molecular Weight170.25 g/mol
Exact Mass170.06
IUPAC Name2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene
SMILESCSc1cc(C)cc(C)c1F
InChIInChI=1S/C9H11FS/c1-6-4-7(2)9(10)8(5-6)11-3/h4-5H,1-3H3
InChIKeyRRJHKCNVBXIHOP-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene?
The IUPAC name of 2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene (CID 130850117) is 2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene.
What is the SMILES notation for 2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene?
The canonical SMILES for 2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene is CSc1cc(C)cc(C)c1F.
What is the InChIKey of 2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene?
The InChIKey is RRJHKCNVBXIHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FS/c1-6-4-7(2)9(10)8(5-6)11-3/h4-5H,1-3H3.
What are the key properties of 2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene?
2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene has a molecular weight of 170.25 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,5-dimethyl-3-methylsulfanylbenzene is sourced from PubChem (CID 130850117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).