2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene

C10H13FOS — CID 155747994

IUPAC2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(S(C)=O)c(F)c1
InChIInChI=1S/C10H13FOS/c1-7(2)8-4-5-10(13(3)12)9(11)6-8/h4-7H,1-3H3
InChIKeyNCJVVWBIBUFWQO-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.69
Rot. Bonds2

About 2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene

2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene (PubChem CID 155747994) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene
PubChem CID155747994
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(S(C)=O)c(F)c1
InChIInChI=1S/C10H13FOS/c1-7(2)8-4-5-10(13(3)12)9(11)6-8/h4-7H,1-3H3
InChIKeyNCJVVWBIBUFWQO-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene?
The IUPAC name of 2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene (CID 155747994) is 2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene is CC(C)c1ccc(S(C)=O)c(F)c1.
What is the InChIKey of 2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene?
The InChIKey is NCJVVWBIBUFWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-7(2)8-4-5-10(13(3)12)9(11)6-8/h4-7H,1-3H3.
What are the key properties of 2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene?
2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene has a molecular weight of 200.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methylsulfinyl-4-propan-2-ylbenzene is sourced from PubChem (CID 155747994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).