1-(fluoromethylsulfonyl)butane

C5H11FO2S — CID 18991893

IUPAC1-(fluoromethylsulfonyl)butane
SMILESCCCCS(=O)(=O)CF
InChIInChI=1S/C5H11FO2S/c1-2-3-4-9(7,8)5-6/h2-5H2,1H3
InChIKeyZBTQMJZWYJXEPW-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.13
Rot. Bonds4

About 1-(fluoromethylsulfonyl)butane

1-(fluoromethylsulfonyl)butane (PubChem CID 18991893) has the molecular formula C5H11FO2S and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(fluoromethylsulfonyl)butane.

Molecular Properties

Compound Name1-(fluoromethylsulfonyl)butane
PubChem CID18991893
Molecular FormulaC5H11FO2S
Molecular Weight154.21 g/mol
Exact Mass154.05
IUPAC Name1-(fluoromethylsulfonyl)butane
SMILESCCCCS(=O)(=O)CF
InChIInChI=1S/C5H11FO2S/c1-2-3-4-9(7,8)5-6/h2-5H2,1H3
InChIKeyZBTQMJZWYJXEPW-UHFFFAOYSA-N
XLogP1.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propyl sulfone
CID 11709
Isopropyl sulfone
CID 96232
Methyl propyl sulfone
CID 121250
Butyl ethyl sulfone
CID 520509
Ethyl Isopropyl Sulfone
CID 21719919
Butane, 1-(methylsulfonyl)-
CID 139046
2-(Methylsulphonyl)propane
CID 138372
3-(Methylsulfanyl)propane-1-sulfonyl chloride
CID 55279701
1-Butyl trifluormethyl sulfone
CID 3744093
Trifluoromethyl propyl sulfone
CID 54326780
1,1,1-Trifluoro-3-(methanesulfonyl)propane
CID 71356948
Ethyl n-propyl sulfone
CID 520507

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfonyl)butane?
The IUPAC name of 1-(fluoromethylsulfonyl)butane (CID 18991893) is 1-(fluoromethylsulfonyl)butane.
What is the SMILES notation for 1-(fluoromethylsulfonyl)butane?
The canonical SMILES for 1-(fluoromethylsulfonyl)butane is CCCCS(=O)(=O)CF.
What is the InChIKey of 1-(fluoromethylsulfonyl)butane?
The InChIKey is ZBTQMJZWYJXEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2S/c1-2-3-4-9(7,8)5-6/h2-5H2,1H3.
What are the key properties of 1-(fluoromethylsulfonyl)butane?
1-(fluoromethylsulfonyl)butane has a molecular weight of 154.21 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfonyl)butane is sourced from PubChem (CID 18991893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).