2-hydroxy-4-methylpentane-1-sulfonyl fluoride

C6H13FO3S — CID 115016687

IUPAC2-hydroxy-4-methylpentane-1-sulfonyl fluoride
SMILESCC(C)CC(O)CS(=O)(=O)F
InChIInChI=1S/C6H13FO3S/c1-5(2)3-6(8)4-11(7,9)10/h5-6,8H,3-4H2,1-2H3
InChIKeyOFOMXMAWCQCXAK-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.69
Rot. Bonds4

About 2-hydroxy-4-methylpentane-1-sulfonyl fluoride

2-hydroxy-4-methylpentane-1-sulfonyl fluoride (PubChem CID 115016687) has the molecular formula C6H13FO3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-hydroxy-4-methylpentane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2-hydroxy-4-methylpentane-1-sulfonyl fluoride
PubChem CID115016687
Molecular FormulaC6H13FO3S
Molecular Weight184.23 g/mol
Exact Mass184.06
IUPAC Name2-hydroxy-4-methylpentane-1-sulfonyl fluoride
SMILESCC(C)CC(O)CS(=O)(=O)F
InChIInChI=1S/C6H13FO3S/c1-5(2)3-6(8)4-11(7,9)10/h5-6,8H,3-4H2,1-2H3
InChIKeyOFOMXMAWCQCXAK-UHFFFAOYSA-N
XLogP0.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-4-methylpentane-1-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methylpentane-1-sulfonyl fluoride?
The IUPAC name of 2-hydroxy-4-methylpentane-1-sulfonyl fluoride (CID 115016687) is 2-hydroxy-4-methylpentane-1-sulfonyl fluoride.
What is the SMILES notation for 2-hydroxy-4-methylpentane-1-sulfonyl fluoride?
The canonical SMILES for 2-hydroxy-4-methylpentane-1-sulfonyl fluoride is CC(C)CC(O)CS(=O)(=O)F.
What is the InChIKey of 2-hydroxy-4-methylpentane-1-sulfonyl fluoride?
The InChIKey is OFOMXMAWCQCXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3S/c1-5(2)3-6(8)4-11(7,9)10/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-4-methylpentane-1-sulfonyl fluoride?
2-hydroxy-4-methylpentane-1-sulfonyl fluoride has a molecular weight of 184.23 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methylpentane-1-sulfonyl fluoride is sourced from PubChem (CID 115016687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).