1-fluoro-4-propan-2-ylsulfonylbenzene

C9H11FO2S — CID 14289526

IUPAC1-fluoro-4-propan-2-ylsulfonylbenzene
SMILESCC(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H11FO2S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h3-7H,1-2H3
InChIKeyHDBPGUFVMVNSOC-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.01
Rot. Bonds2

About 1-fluoro-4-propan-2-ylsulfonylbenzene

1-fluoro-4-propan-2-ylsulfonylbenzene (PubChem CID 14289526) has the molecular formula C9H11FO2S and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-fluoro-4-propan-2-ylsulfonylbenzene.

Molecular Properties

Compound Name1-fluoro-4-propan-2-ylsulfonylbenzene
PubChem CID14289526
Molecular FormulaC9H11FO2S
Molecular Weight202.25 g/mol
Exact Mass202.05
IUPAC Name1-fluoro-4-propan-2-ylsulfonylbenzene
SMILESCC(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H11FO2S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h3-7H,1-2H3
InChIKeyHDBPGUFVMVNSOC-UHFFFAOYSA-N
XLogP2.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-propan-2-ylsulfonylbenzene?
The IUPAC name of 1-fluoro-4-propan-2-ylsulfonylbenzene (CID 14289526) is 1-fluoro-4-propan-2-ylsulfonylbenzene.
What is the SMILES notation for 1-fluoro-4-propan-2-ylsulfonylbenzene?
The canonical SMILES for 1-fluoro-4-propan-2-ylsulfonylbenzene is CC(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-propan-2-ylsulfonylbenzene?
The InChIKey is HDBPGUFVMVNSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h3-7H,1-2H3.
What are the key properties of 1-fluoro-4-propan-2-ylsulfonylbenzene?
1-fluoro-4-propan-2-ylsulfonylbenzene has a molecular weight of 202.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-propan-2-ylsulfonylbenzene is sourced from PubChem (CID 14289526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).