2-(cyclopropylmethoxy)ethanesulfonyl fluoride

C6H11FO3S — CID 165453624

IUPAC2-(cyclopropylmethoxy)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCOCC1CC1
InChIInChI=1S/C6H11FO3S/c7-11(8,9)4-3-10-5-6-1-2-6/h6H,1-5H2
InChIKeyLASPPKBRNJIVHX-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.71
Rot. Bonds5

About 2-(cyclopropylmethoxy)ethanesulfonyl fluoride

2-(cyclopropylmethoxy)ethanesulfonyl fluoride (PubChem CID 165453624) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)ethanesulfonyl fluoride
PubChem CID165453624
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name2-(cyclopropylmethoxy)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCOCC1CC1
InChIInChI=1S/C6H11FO3S/c7-11(8,9)4-3-10-5-6-1-2-6/h6H,1-5H2
InChIKeyLASPPKBRNJIVHX-UHFFFAOYSA-N
XLogP0.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclopropylmethoxy)ethanesulfonyl 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-(cyclopropylmethoxy)ethanesulfonyl fluoride?
The IUPAC name of 2-(cyclopropylmethoxy)ethanesulfonyl fluoride (CID 165453624) is 2-(cyclopropylmethoxy)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(cyclopropylmethoxy)ethanesulfonyl fluoride?
The canonical SMILES for 2-(cyclopropylmethoxy)ethanesulfonyl fluoride is O=S(=O)(F)CCOCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)ethanesulfonyl fluoride?
The InChIKey is LASPPKBRNJIVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c7-11(8,9)4-3-10-5-6-1-2-6/h6H,1-5H2.
What are the key properties of 2-(cyclopropylmethoxy)ethanesulfonyl fluoride?
2-(cyclopropylmethoxy)ethanesulfonyl fluoride has a molecular weight of 182.22 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)ethanesulfonyl fluoride is sourced from PubChem (CID 165453624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).