2-methylpentane-2-sulfonyl fluoride

C6H13FO2S — CID 22935845

IUPAC2-methylpentane-2-sulfonyl fluoride
SMILESCCCC(C)(C)S(=O)(=O)F
InChIInChI=1S/C6H13FO2S/c1-4-5-6(2,3)10(7,8)9/h4-5H2,1-3H3
InChIKeyHSDIBSLAOHSVTE-UHFFFAOYSA-N
MW168.23 g/mol
LogP1.86
Rot. Bonds3

About 2-methylpentane-2-sulfonyl fluoride

2-methylpentane-2-sulfonyl fluoride (PubChem CID 22935845) has the molecular formula C6H13FO2S and a molecular weight of 168.23 g/mol. Its IUPAC name is 2-methylpentane-2-sulfonyl fluoride.

Molecular Properties

Compound Name2-methylpentane-2-sulfonyl fluoride
PubChem CID22935845
Molecular FormulaC6H13FO2S
Molecular Weight168.23 g/mol
Exact Mass168.06
IUPAC Name2-methylpentane-2-sulfonyl fluoride
SMILESCCCC(C)(C)S(=O)(=O)F
InChIInChI=1S/C6H13FO2S/c1-4-5-6(2,3)10(7,8)9/h4-5H2,1-3H3
InChIKeyHSDIBSLAOHSVTE-UHFFFAOYSA-N
XLogP1.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylpentane-1-sulfonyl fluoride
CID 54593061
2-Methylhexane-2-sulfonyl fluoride
CID 22935852
2-Methylbutane-2-sulfonyl fluoride
CID 22935896
5-Methylhexane-1-sulfonyl fluoride
CID 22935898
4-Methylpentane-1-sulfonyl fluoride
CID 22935901
2,4,4-Trimethylpentane-2-sulfonyl fluoride
CID 87774133
2-Methylpropane-2-sulfonyl fluoride
CID 118654439
2,4-Dimethylpentane-3-sulfonyl fluoride
CID 165960178
2,2-Dimethylpentane-3-sulfonyl fluoride
CID 179048483
(2R)-2-methylpentane-1-sulfonyl fluoride
CID 98124567
(2S)-2-methylpentane-1-sulfonyl fluoride
CID 98124568
2,4-Dimethylpentane-1-sulfonyl fluoride
CID 115016220

Frequently Asked Questions

What is the IUPAC name of 2-methylpentane-2-sulfonyl fluoride?
The IUPAC name of 2-methylpentane-2-sulfonyl fluoride (CID 22935845) is 2-methylpentane-2-sulfonyl fluoride.
What is the SMILES notation for 2-methylpentane-2-sulfonyl fluoride?
The canonical SMILES for 2-methylpentane-2-sulfonyl fluoride is CCCC(C)(C)S(=O)(=O)F.
What is the InChIKey of 2-methylpentane-2-sulfonyl fluoride?
The InChIKey is HSDIBSLAOHSVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO2S/c1-4-5-6(2,3)10(7,8)9/h4-5H2,1-3H3.
What are the key properties of 2-methylpentane-2-sulfonyl fluoride?
2-methylpentane-2-sulfonyl fluoride has a molecular weight of 168.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane-2-sulfonyl fluoride is sourced from PubChem (CID 22935845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).