3,3-dimethylbutane-1-sulfonyl fluoride

C6H13FO2S — CID 54593040

IUPAC3,3-dimethylbutane-1-sulfonyl fluoride
SMILESCC(C)(C)CCS(=O)(=O)F
InChIInChI=1S/C6H13FO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3
InChIKeyDYOHYZQXJMQYBZ-UHFFFAOYSA-N
MW168.23 g/mol
LogP1.72
Rot. Bonds2

About 3,3-dimethylbutane-1-sulfonyl fluoride

3,3-dimethylbutane-1-sulfonyl fluoride (PubChem CID 54593040) has the molecular formula C6H13FO2S and a molecular weight of 168.23 g/mol. Its IUPAC name is 3,3-dimethylbutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3,3-dimethylbutane-1-sulfonyl fluoride
PubChem CID54593040
Molecular FormulaC6H13FO2S
Molecular Weight168.23 g/mol
Exact Mass168.06
IUPAC Name3,3-dimethylbutane-1-sulfonyl fluoride
SMILESCC(C)(C)CCS(=O)(=O)F
InChIInChI=1S/C6H13FO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3
InChIKeyDYOHYZQXJMQYBZ-UHFFFAOYSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butanesulfonyl fluoride
CID 12615
2-Methylbutane-1-sulfonyl fluoride
CID 22935853
2-Methylpropane-1-sulfonyl fluoride
CID 56604709
3,3-Dimethylbutane-1-sulfonyl chloride
CID 60911640
2,2-Dimethylbutane-1-sulfonyl chloride
CID 88004578
(1-Methylcyclopropyl)methanesulfonyl fluoride
CID 138989246
2-Methylbutane-2-sulfonyl fluoride
CID 22935896
Butane-2-sulfonyl fluoride
CID 56604173
4-Fluoro-3,3-dimethylbutane-1-sulfonic acid
CID 87154664
1-Fluoro-3,3-dimethylbutane-2-sulfonic acid
CID 87154665
3-Methylbutane-1-sulfonyl fluoride
CID 87773919
2,2-Dimethylpropane-1-sulfonyl fluoride
CID 115011968

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutane-1-sulfonyl fluoride?
The IUPAC name of 3,3-dimethylbutane-1-sulfonyl fluoride (CID 54593040) is 3,3-dimethylbutane-1-sulfonyl fluoride.
What is the SMILES notation for 3,3-dimethylbutane-1-sulfonyl fluoride?
The canonical SMILES for 3,3-dimethylbutane-1-sulfonyl fluoride is CC(C)(C)CCS(=O)(=O)F.
What is the InChIKey of 3,3-dimethylbutane-1-sulfonyl fluoride?
The InChIKey is DYOHYZQXJMQYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3.
What are the key properties of 3,3-dimethylbutane-1-sulfonyl fluoride?
3,3-dimethylbutane-1-sulfonyl fluoride has a molecular weight of 168.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutane-1-sulfonyl fluoride is sourced from PubChem (CID 54593040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).