3-(2-chlorophenoxy)propane-1-sulfonyl fluoride

C9H10ClFO3S — CID 165461018

IUPAC3-(2-chlorophenoxy)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCOc1ccccc1Cl
InChIInChI=1S/C9H10ClFO3S/c10-8-4-1-2-5-9(8)14-6-3-7-15(11,12)13/h1-2,4-5H,3,6-7H2
InChIKeyFUOMEQKDBHOSDP-UHFFFAOYSA-N
MW252.69 g/mol
LogP2.41
Rot. Bonds5

About 3-(2-chlorophenoxy)propane-1-sulfonyl fluoride

3-(2-chlorophenoxy)propane-1-sulfonyl fluoride (PubChem CID 165461018) has the molecular formula C9H10ClFO3S and a molecular weight of 252.69 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(2-chlorophenoxy)propane-1-sulfonyl fluoride
PubChem CID165461018
Molecular FormulaC9H10ClFO3S
Molecular Weight252.69 g/mol
Exact Mass252.00
IUPAC Name3-(2-chlorophenoxy)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCOc1ccccc1Cl
InChIInChI=1S/C9H10ClFO3S/c10-8-4-1-2-5-9(8)14-6-3-7-15(11,12)13/h1-2,4-5H,3,6-7H2
InChIKeyFUOMEQKDBHOSDP-UHFFFAOYSA-N
XLogP2.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride
CID 165453369
3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride
CID 165461012
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
2-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylethanesulfonamide
CID 107651008
N-[2-(2-chlorophenoxy)ethyl]aniline
CID 19079516
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
3-(2-chlorophenoxy)propyl acetate
CID 59706608
2-[3-(2-chlorophenoxy)propyl]propanedioic acid
CID 174289413
1-chloro-2-(chloromethyl)-3-(3-methylsulfonylpropoxy)benzene
CID 114320711
3-[3-(2-chlorophenoxy)propoxy]propan-1-amine
CID 82353356
1-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylmethanesulfonamide
CID 83084968

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)propane-1-sulfonyl fluoride?
The IUPAC name of 3-(2-chlorophenoxy)propane-1-sulfonyl fluoride (CID 165461018) is 3-(2-chlorophenoxy)propane-1-sulfonyl fluoride.
What is the SMILES notation for 3-(2-chlorophenoxy)propane-1-sulfonyl fluoride?
The canonical SMILES for 3-(2-chlorophenoxy)propane-1-sulfonyl fluoride is O=S(=O)(F)CCCOc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)propane-1-sulfonyl fluoride?
The InChIKey is FUOMEQKDBHOSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO3S/c10-8-4-1-2-5-9(8)14-6-3-7-15(11,12)13/h1-2,4-5H,3,6-7H2.
What are the key properties of 3-(2-chlorophenoxy)propane-1-sulfonyl fluoride?
3-(2-chlorophenoxy)propane-1-sulfonyl fluoride has a molecular weight of 252.69 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)propane-1-sulfonyl fluoride is sourced from PubChem (CID 165461018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).