2,4-dimethylpentane-1-sulfonyl fluoride

C7H15FO2S — CID 115016220

IUPAC2,4-dimethylpentane-1-sulfonyl fluoride
SMILESCC(C)CC(C)CS(=O)(=O)F
InChIInChI=1S/C7H15FO2S/c1-6(2)4-7(3)5-11(8,9)10/h6-7H,4-5H2,1-3H3
InChIKeyQIPOERMLJNZFHK-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.97
Rot. Bonds4

About 2,4-dimethylpentane-1-sulfonyl fluoride

2,4-dimethylpentane-1-sulfonyl fluoride (PubChem CID 115016220) has the molecular formula C7H15FO2S and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,4-dimethylpentane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2,4-dimethylpentane-1-sulfonyl fluoride
PubChem CID115016220
Molecular FormulaC7H15FO2S
Molecular Weight182.26 g/mol
Exact Mass182.08
IUPAC Name2,4-dimethylpentane-1-sulfonyl fluoride
SMILESCC(C)CC(C)CS(=O)(=O)F
InChIInChI=1S/C7H15FO2S/c1-6(2)4-7(3)5-11(8,9)10/h6-7H,4-5H2,1-3H3
InChIKeyQIPOERMLJNZFHK-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylpentane-1-sulfonyl chloride
CID 20532481
2-Methylbutane-1-sulfonyl fluoride
CID 22935853
4-Methylpentane-2-sulfonyl chloride
CID 54347504
2-Methylpentane-1-sulfonyl fluoride
CID 54593061
2-Methylpropane-1-sulfonyl fluoride
CID 56604709
Pentane-1-sulfonyl fluoride
CID 22935878
2-Ethylbutane-1-sulfonyl fluoride
CID 54593062
5-Methylhexane-2-sulfonyl chloride
CID 62084209
2,4-Dimethylpentane-1-sulfonyl chloride
CID 83637643
Pentane-3-sulfonyl fluoride
CID 122236127
(3,3-Dimethylcyclobutyl)methanesulfonyl fluoride
CID 138989254
(2-Methylcyclopropyl)methanesulfonyl fluoride
CID 139022381

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane-1-sulfonyl fluoride?
The IUPAC name of 2,4-dimethylpentane-1-sulfonyl fluoride (CID 115016220) is 2,4-dimethylpentane-1-sulfonyl fluoride.
What is the SMILES notation for 2,4-dimethylpentane-1-sulfonyl fluoride?
The canonical SMILES for 2,4-dimethylpentane-1-sulfonyl fluoride is CC(C)CC(C)CS(=O)(=O)F.
What is the InChIKey of 2,4-dimethylpentane-1-sulfonyl fluoride?
The InChIKey is QIPOERMLJNZFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2S/c1-6(2)4-7(3)5-11(8,9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,4-dimethylpentane-1-sulfonyl fluoride?
2,4-dimethylpentane-1-sulfonyl fluoride has a molecular weight of 182.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane-1-sulfonyl fluoride is sourced from PubChem (CID 115016220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).