5-methylhexane-1-sulfonyl fluoride

C7H15FO2S — CID 22935898

IUPAC5-methylhexane-1-sulfonyl fluoride
SMILESCC(C)CCCCS(=O)(=O)F
InChIInChI=1S/C7H15FO2S/c1-7(2)5-3-4-6-11(8,9)10/h7H,3-6H2,1-2H3
InChIKeyJVNHFCBFJLFDFG-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.11
Rot. Bonds5

About 5-methylhexane-1-sulfonyl fluoride

5-methylhexane-1-sulfonyl fluoride (PubChem CID 22935898) has the molecular formula C7H15FO2S and a molecular weight of 182.26 g/mol. Its IUPAC name is 5-methylhexane-1-sulfonyl fluoride.

Molecular Properties

Compound Name5-methylhexane-1-sulfonyl fluoride
PubChem CID22935898
Molecular FormulaC7H15FO2S
Molecular Weight182.26 g/mol
Exact Mass182.08
IUPAC Name5-methylhexane-1-sulfonyl fluoride
SMILESCC(C)CCCCS(=O)(=O)F
InChIInChI=1S/C7H15FO2S/c1-7(2)5-3-4-6-11(8,9)10/h7H,3-6H2,1-2H3
InChIKeyJVNHFCBFJLFDFG-UHFFFAOYSA-N
XLogP2.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Hexanesulfonyl fluoride
CID 103340
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
4-Methylcyclohexane-1-sulfonyl fluoride
CID 139363291
2-Ethylbutane-1-sulfonyl fluoride
CID 54593062
5-Methylhexane-2-sulfonyl chloride
CID 62084209
2,4-Dimethylpentane-1-sulfonyl chloride
CID 83637643
(2-Methylcyclopropyl)methanesulfonyl fluoride
CID 139022381
3-Methylcyclohexane-1-sulfonyl fluoride
CID 165501849

Frequently Asked Questions

What is the IUPAC name of 5-methylhexane-1-sulfonyl fluoride?
The IUPAC name of 5-methylhexane-1-sulfonyl fluoride (CID 22935898) is 5-methylhexane-1-sulfonyl fluoride.
What is the SMILES notation for 5-methylhexane-1-sulfonyl fluoride?
The canonical SMILES for 5-methylhexane-1-sulfonyl fluoride is CC(C)CCCCS(=O)(=O)F.
What is the InChIKey of 5-methylhexane-1-sulfonyl fluoride?
The InChIKey is JVNHFCBFJLFDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2S/c1-7(2)5-3-4-6-11(8,9)10/h7H,3-6H2,1-2H3.
What are the key properties of 5-methylhexane-1-sulfonyl fluoride?
5-methylhexane-1-sulfonyl fluoride has a molecular weight of 182.26 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhexane-1-sulfonyl fluoride is sourced from PubChem (CID 22935898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).