2,3,3-trimethylbutane-1-sulfonyl fluoride

C7H15FO2S — CID 115016219

IUPAC2,3,3-trimethylbutane-1-sulfonyl fluoride
SMILESCC(CS(=O)(=O)F)C(C)(C)C
InChIInChI=1S/C7H15FO2S/c1-6(7(2,3)4)5-11(8,9)10/h6H,5H2,1-4H3
InChIKeyFSVNSPRVFMJFHO-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.97
Rot. Bonds2

About 2,3,3-trimethylbutane-1-sulfonyl fluoride

2,3,3-trimethylbutane-1-sulfonyl fluoride (PubChem CID 115016219) has the molecular formula C7H15FO2S and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,3,3-trimethylbutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2,3,3-trimethylbutane-1-sulfonyl fluoride
PubChem CID115016219
Molecular FormulaC7H15FO2S
Molecular Weight182.26 g/mol
Exact Mass182.08
IUPAC Name2,3,3-trimethylbutane-1-sulfonyl fluoride
SMILESCC(CS(=O)(=O)F)C(C)(C)C
InChIInChI=1S/C7H15FO2S/c1-6(7(2,3)4)5-11(8,9)10/h6H,5H2,1-4H3
InChIKeyFSVNSPRVFMJFHO-UHFFFAOYSA-N
XLogP1.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3-trimethylbutane-1-sulfonyl chloride
CID 83637644
2-(3,3-difluorobutyl)propane-1,3-disulfonyl fluoride
CID 158948499
2,2-difluoroethanesulfonyl fluoride
CID 158385246
N-tert-butyl-N-(2,3,3-trimethylbutylsulfonylmethyl)methanesulfonamide;methane
CID 160795103
methyl (2S)-3-fluorosulfonyl-2-methylpropanoate
CID 124709340
2-methoxy-4-methylpentane-1-sulfonyl fluoride
CID 165461337
3-chloro-2-methyl-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83146748
2,2,2-trifluoroethanesulfonyl fluoride
CID 12929868
3-(2,3,3-trimethylbutylsulfamoyl)benzenesulfonyl fluoride
CID 114958447
(3R)-2,2-dimethyl-3-(propan-2-ylsulfonylmethyl)pentane
CID 58573491
3-fluorosulfonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 139806912
2,2-dimethylpropane;(2R)-2,3,3-trimethylbutan-1-ol
CID 158433518

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylbutane-1-sulfonyl fluoride?
The IUPAC name of 2,3,3-trimethylbutane-1-sulfonyl fluoride (CID 115016219) is 2,3,3-trimethylbutane-1-sulfonyl fluoride.
What is the SMILES notation for 2,3,3-trimethylbutane-1-sulfonyl fluoride?
The canonical SMILES for 2,3,3-trimethylbutane-1-sulfonyl fluoride is CC(CS(=O)(=O)F)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethylbutane-1-sulfonyl fluoride?
The InChIKey is FSVNSPRVFMJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2S/c1-6(7(2,3)4)5-11(8,9)10/h6H,5H2,1-4H3.
What are the key properties of 2,3,3-trimethylbutane-1-sulfonyl fluoride?
2,3,3-trimethylbutane-1-sulfonyl fluoride has a molecular weight of 182.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylbutane-1-sulfonyl fluoride is sourced from PubChem (CID 115016219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).