(2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane

C10H21FO2S — CID 170540876

IUPAC(2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane
SMILESCC(C)(C)[C@@H](F)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21FO2S/c1-9(2,3)8(11)7-14(12,13)10(4,5)6/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyOTYYLUJJNSEXTR-QMMMGPOBSA-N
MW224.34 g/mol
LogP2.58
Rot. Bonds2

About (2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane

(2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane (PubChem CID 170540876) has the molecular formula C10H21FO2S and a molecular weight of 224.34 g/mol. Its IUPAC name is (2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane.

Molecular Properties

Compound Name(2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane
PubChem CID170540876
Molecular FormulaC10H21FO2S
Molecular Weight224.34 g/mol
Exact Mass224.12
IUPAC Name(2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane
SMILESCC(C)(C)[C@@H](F)CS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21FO2S/c1-9(2,3)8(11)7-14(12,13)10(4,5)6/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyOTYYLUJJNSEXTR-QMMMGPOBSA-N
XLogP2.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cambridge id 5104102
CID 2172840
1,2-Bisbutylsulfonyl-3,3-dimethylbutane
CID 2830962
1,2-Bis(ethylsulfonyl)-3,3-dimethylbutane
CID 2830963
3-(Butylsulfonyl)-2,2-dimethylbutane
CID 129805925
1-(1,1-Difluoroethylsulfonyl)-4,4-dimethylpentane
CID 58530430
1-Fluoro-2-methyl-2-(2-methylpropylsulfonyl)propane
CID 58814885
2,2,3-Trimethyl-3-(3,3,3-trifluoropropylsulfonyl)butane
CID 59267886
1-Fluoro-1-(1-fluorobutylsulfonyl)butane
CID 87623339
1-Fluoro-2-(1-fluoro-2-methylbutan-2-yl)sulfonyl-2-methylbutane
CID 87623637
1-Fluoro-2-(1-fluorobutan-2-ylsulfonyl)butane
CID 87625120
2-Fluoro-1-(2-fluorobutylsulfonyl)butane
CID 87625121
3-Fluoro-1-(3-fluorobutylsulfonyl)butane
CID 87772878

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane?
The IUPAC name of (2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane (CID 170540876) is (2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane.
What is the SMILES notation for (2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane?
The canonical SMILES for (2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane is CC(C)(C)[C@@H](F)CS(=O)(=O)C(C)(C)C.
What is the InChIKey of (2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane?
The InChIKey is OTYYLUJJNSEXTR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21FO2S/c1-9(2,3)8(11)7-14(12,13)10(4,5)6/h8H,7H2,1-6H3/t8-/m0/s1.
What are the key properties of (2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane?
(2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane has a molecular weight of 224.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butylsulfonyl-2-fluoro-3,3-dimethylbutane is sourced from PubChem (CID 170540876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).