2-methylhexane-2-sulfonyl fluoride

C7H15FO2S — CID 22935852

IUPAC2-methylhexane-2-sulfonyl fluoride
SMILESCCCCC(C)(C)S(=O)(=O)F
InChIInChI=1S/C7H15FO2S/c1-4-5-6-7(2,3)11(8,9)10/h4-6H2,1-3H3
InChIKeyGZUJPGUHSXPBOW-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.25
Rot. Bonds4

About 2-methylhexane-2-sulfonyl fluoride

2-methylhexane-2-sulfonyl fluoride (PubChem CID 22935852) has the molecular formula C7H15FO2S and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-methylhexane-2-sulfonyl fluoride.

Molecular Properties

Compound Name2-methylhexane-2-sulfonyl fluoride
PubChem CID22935852
Molecular FormulaC7H15FO2S
Molecular Weight182.26 g/mol
Exact Mass182.08
IUPAC Name2-methylhexane-2-sulfonyl fluoride
SMILESCCCCC(C)(C)S(=O)(=O)F
InChIInChI=1S/C7H15FO2S/c1-4-5-6-7(2,3)11(8,9)10/h4-6H2,1-3H3
InChIKeyGZUJPGUHSXPBOW-UHFFFAOYSA-N
XLogP2.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylpentane-1-sulfonyl fluoride
CID 54593061
2-Methylpentane-2-sulfonyl fluoride
CID 22935845
2-Methylheptane-2-sulfonyl fluoride
CID 22935882
2-Methylbutane-2-sulfonyl fluoride
CID 22935896
5-Methylhexane-1-sulfonyl fluoride
CID 22935898
4-Methylpentane-1-sulfonyl fluoride
CID 22935901
1-Methylcyclohexane-1-sulfonyl fluoride
CID 85837050
2,4-Dimethylpentane-3-sulfonyl fluoride
CID 165960178
(2R)-2-methylpentane-1-sulfonyl fluoride
CID 98124567
(2S)-2-methylpentane-1-sulfonyl fluoride
CID 98124568
2,4-Dimethylpentane-1-sulfonyl fluoride
CID 115016220
4-Methylpentane-2-sulfonyl fluoride
CID 122236072

Frequently Asked Questions

What is the IUPAC name of 2-methylhexane-2-sulfonyl fluoride?
The IUPAC name of 2-methylhexane-2-sulfonyl fluoride (CID 22935852) is 2-methylhexane-2-sulfonyl fluoride.
What is the SMILES notation for 2-methylhexane-2-sulfonyl fluoride?
The canonical SMILES for 2-methylhexane-2-sulfonyl fluoride is CCCCC(C)(C)S(=O)(=O)F.
What is the InChIKey of 2-methylhexane-2-sulfonyl fluoride?
The InChIKey is GZUJPGUHSXPBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2S/c1-4-5-6-7(2,3)11(8,9)10/h4-6H2,1-3H3.
What are the key properties of 2-methylhexane-2-sulfonyl fluoride?
2-methylhexane-2-sulfonyl fluoride has a molecular weight of 182.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexane-2-sulfonyl fluoride is sourced from PubChem (CID 22935852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).