1-butan-2-ylsulfonyl-4-fluorobenzene

C10H13FO2S — CID 64716908

IUPAC1-butan-2-ylsulfonyl-4-fluorobenzene
SMILESCCC(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H13FO2S/c1-3-8(2)14(12,13)10-6-4-9(11)5-7-10/h4-8H,3H2,1-2H3
InChIKeyYIZALLBDUFMWET-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.40
Rot. Bonds3

About 1-butan-2-ylsulfonyl-4-fluorobenzene

1-butan-2-ylsulfonyl-4-fluorobenzene (PubChem CID 64716908) has the molecular formula C10H13FO2S and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-butan-2-ylsulfonyl-4-fluorobenzene.

Molecular Properties

Compound Name1-butan-2-ylsulfonyl-4-fluorobenzene
PubChem CID64716908
Molecular FormulaC10H13FO2S
Molecular Weight216.28 g/mol
Exact Mass216.06
IUPAC Name1-butan-2-ylsulfonyl-4-fluorobenzene
SMILESCCC(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H13FO2S/c1-3-8(2)14(12,13)10-6-4-9(11)5-7-10/h4-8H,3H2,1-2H3
InChIKeyYIZALLBDUFMWET-UHFFFAOYSA-N
XLogP2.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfonyl-4-fluorobenzene?
The IUPAC name of 1-butan-2-ylsulfonyl-4-fluorobenzene (CID 64716908) is 1-butan-2-ylsulfonyl-4-fluorobenzene.
What is the SMILES notation for 1-butan-2-ylsulfonyl-4-fluorobenzene?
The canonical SMILES for 1-butan-2-ylsulfonyl-4-fluorobenzene is CCC(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-butan-2-ylsulfonyl-4-fluorobenzene?
The InChIKey is YIZALLBDUFMWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2S/c1-3-8(2)14(12,13)10-6-4-9(11)5-7-10/h4-8H,3H2,1-2H3.
What are the key properties of 1-butan-2-ylsulfonyl-4-fluorobenzene?
1-butan-2-ylsulfonyl-4-fluorobenzene has a molecular weight of 216.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfonyl-4-fluorobenzene is sourced from PubChem (CID 64716908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).