[chloro-(4-fluorophenyl)methyl] sulfite

C7H5ClFO3S- — CID 174847182

IUPAC[chloro-(4-fluorophenyl)methyl] sulfite
SMILESO=S([O-])OC(Cl)c1ccc(F)cc1
InChIInChI=1S/C7H6ClFO3S/c8-7(12-13(10)11)5-1-3-6(9)4-2-5/h1-4,7H,(H,10,11)/p-1
InChIKeyPPLMCUVAKYOMKL-UHFFFAOYSA-M
MW223.63 g/mol
LogP1.87
Rot. Bonds3

About [chloro-(4-fluorophenyl)methyl] sulfite

[chloro-(4-fluorophenyl)methyl] sulfite (PubChem CID 174847182) has the molecular formula C7H5ClFO3S- and a molecular weight of 223.63 g/mol. Its IUPAC name is [chloro-(4-fluorophenyl)methyl] sulfite.

Molecular Properties

Compound Name[chloro-(4-fluorophenyl)methyl] sulfite
PubChem CID174847182
Molecular FormulaC7H5ClFO3S-
Molecular Weight223.63 g/mol
Exact Mass222.96
IUPAC Name[chloro-(4-fluorophenyl)methyl] sulfite
SMILESO=S([O-])OC(Cl)c1ccc(F)cc1
InChIInChI=1S/C7H6ClFO3S/c8-7(12-13(10)11)5-1-3-6(9)4-2-5/h1-4,7H,(H,10,11)/p-1
InChIKeyPPLMCUVAKYOMKL-UHFFFAOYSA-M
XLogP1.87
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(4-fluorophenyl)methyl-oxophosphanium
CID 154085746
bis[[(S)-bis(4-fluorophenyl)methylsulfinyl]methoxy]-oxophosphanium
CID 175504422
2-chloro-2-(4-fluorophenyl)-N-methylacetamide
CID 10352801
2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone
CID 81242371
1-(1-chloro-2,2,2-trifluoroethyl)-4-fluorobenzene
CID 61083107
sodium;4-fluorobenzaldehyde;methanesulfinate
CID 160964159
2-(4-fluorophenyl)-2-methoxyacetaldehyde
CID 83827030
1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene
CID 139197607
bis(4-fluorophenyl)methylsilane
CID 71348038
2-chloro-2-(4-fluorophenyl)ethanol
CID 57194845
1-(1-chloro-2,2-dimethylpropyl)-4-fluorobenzene
CID 61083124
4-fluorobenzenesulfinyl chloride
CID 12669616

Frequently Asked Questions

What is the IUPAC name of [chloro-(4-fluorophenyl)methyl] sulfite?
The IUPAC name of [chloro-(4-fluorophenyl)methyl] sulfite (CID 174847182) is [chloro-(4-fluorophenyl)methyl] sulfite.
What is the SMILES notation for [chloro-(4-fluorophenyl)methyl] sulfite?
The canonical SMILES for [chloro-(4-fluorophenyl)methyl] sulfite is O=S([O-])OC(Cl)c1ccc(F)cc1.
What is the InChIKey of [chloro-(4-fluorophenyl)methyl] sulfite?
The InChIKey is PPLMCUVAKYOMKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClFO3S/c8-7(12-13(10)11)5-1-3-6(9)4-2-5/h1-4,7H,(H,10,11)/p-1.
What are the key properties of [chloro-(4-fluorophenyl)methyl] sulfite?
[chloro-(4-fluorophenyl)methyl] sulfite has a molecular weight of 223.63 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(4-fluorophenyl)methyl] sulfite is sourced from PubChem (CID 174847182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).