3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride

C9H9F3O3S — CID 165461012

IUPAC3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCOc1ccc(F)cc1F
InChIInChI=1S/C9H9F3O3S/c10-7-2-3-9(8(11)6-7)15-4-1-5-16(12,13)14/h2-3,6H,1,4-5H2
InChIKeyJDWDBPPGPYVLJQ-UHFFFAOYSA-N
MW254.23 g/mol
LogP2.03
Rot. Bonds5

About 3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride

3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride (PubChem CID 165461012) has the molecular formula C9H9F3O3S and a molecular weight of 254.23 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride
PubChem CID165461012
Molecular FormulaC9H9F3O3S
Molecular Weight254.23 g/mol
Exact Mass254.02
IUPAC Name3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCOc1ccc(F)cc1F
InChIInChI=1S/C9H9F3O3S/c10-7-2-3-9(8(11)6-7)15-4-1-5-16(12,13)14/h2-3,6H,1,4-5H2
InChIKeyJDWDBPPGPYVLJQ-UHFFFAOYSA-N
XLogP2.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,4-difluorophenoxy)propane-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

Related Compounds

CID 89282398
CID 89282398
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
2-(2,4-difluorophenoxy)ethanethiol
CID 79002379
3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride
CID 165453369
3-(2-chlorophenoxy)propane-1-sulfonyl fluoride
CID 165461018
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
5-(2,4-difluorophenoxy)pentanenitrile
CID 60772052
5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine
CID 82353628
[4-(3-ethylsulfonylpropoxy)-3-fluorophenyl]methanol
CID 107690484
2-(bromomethyl)-4-fluoro-1-(3-methylsulfonylpropoxy)benzene
CID 107699042
2-(3-ethylsulfonylpropoxy)-5-fluorobenzenesulfonyl chloride
CID 65094135
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride?
The IUPAC name of 3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride (CID 165461012) is 3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride.
What is the SMILES notation for 3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride?
The canonical SMILES for 3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride is O=S(=O)(F)CCCOc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride?
The InChIKey is JDWDBPPGPYVLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O3S/c10-7-2-3-9(8(11)6-7)15-4-1-5-16(12,13)14/h2-3,6H,1,4-5H2.
What are the key properties of 3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride?
3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride has a molecular weight of 254.23 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride is sourced from PubChem (CID 165461012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).