4-methylpentane-1-sulfonyl fluoride

C6H13FO2S — CID 22935901

IUPAC4-methylpentane-1-sulfonyl fluoride
SMILESCC(C)CCCS(=O)(=O)F
InChIInChI=1S/C6H13FO2S/c1-6(2)4-3-5-10(7,8)9/h6H,3-5H2,1-2H3
InChIKeyJTYKGTLYZOYJJR-UHFFFAOYSA-N
MW168.23 g/mol
LogP1.72
Rot. Bonds4

About 4-methylpentane-1-sulfonyl fluoride

4-methylpentane-1-sulfonyl fluoride (PubChem CID 22935901) has the molecular formula C6H13FO2S and a molecular weight of 168.23 g/mol. Its IUPAC name is 4-methylpentane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-methylpentane-1-sulfonyl fluoride
PubChem CID22935901
Molecular FormulaC6H13FO2S
Molecular Weight168.23 g/mol
Exact Mass168.06
IUPAC Name4-methylpentane-1-sulfonyl fluoride
SMILESCC(C)CCCS(=O)(=O)F
InChIInChI=1S/C6H13FO2S/c1-6(2)4-3-5-10(7,8)9/h6H,3-5H2,1-2H3
InChIKeyJTYKGTLYZOYJJR-UHFFFAOYSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentane-1-sulfonyl fluoride?
The IUPAC name of 4-methylpentane-1-sulfonyl fluoride (CID 22935901) is 4-methylpentane-1-sulfonyl fluoride.
What is the SMILES notation for 4-methylpentane-1-sulfonyl fluoride?
The canonical SMILES for 4-methylpentane-1-sulfonyl fluoride is CC(C)CCCS(=O)(=O)F.
What is the InChIKey of 4-methylpentane-1-sulfonyl fluoride?
The InChIKey is JTYKGTLYZOYJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO2S/c1-6(2)4-3-5-10(7,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 4-methylpentane-1-sulfonyl fluoride?
4-methylpentane-1-sulfonyl fluoride has a molecular weight of 168.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentane-1-sulfonyl fluoride is sourced from PubChem (CID 22935901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).