(2-chloro-4-fluorophenyl)methyl sulfite

C7H5ClFO3S- — CID 174745780

IUPAC(2-chloro-4-fluorophenyl)methyl sulfite
SMILESO=S([O-])OCc1ccc(F)cc1Cl
InChIInChI=1S/C7H6ClFO3S/c8-7-3-6(9)2-1-5(7)4-12-13(10)11/h1-3H,4H2,(H,10,11)/p-1
InChIKeyPOBPPVHVFVJBBL-UHFFFAOYSA-M
MW223.63 g/mol
LogP1.79
Rot. Bonds3

About (2-chloro-4-fluorophenyl)methyl sulfite

(2-chloro-4-fluorophenyl)methyl sulfite (PubChem CID 174745780) has the molecular formula C7H5ClFO3S- and a molecular weight of 223.63 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)methyl sulfite.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)methyl sulfite
PubChem CID174745780
Molecular FormulaC7H5ClFO3S-
Molecular Weight223.63 g/mol
Exact Mass222.96
IUPAC Name(2-chloro-4-fluorophenyl)methyl sulfite
SMILESO=S([O-])OCc1ccc(F)cc1Cl
InChIInChI=1S/C7H6ClFO3S/c8-7-3-6(9)2-1-5(7)4-12-13(10)11/h1-3H,4H2,(H,10,11)/p-1
InChIKeyPOBPPVHVFVJBBL-UHFFFAOYSA-M
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-fluoro-1-[2-[methyl(sulfinato)amino]ethyl]benzene
CID 70395698
3,5-dichloro-4-[(2-chloro-4-fluorophenyl)methoxy]-2,6-dimethylpyridine
CID 134064787
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
(2-chloro-4-fluorophenyl)methyl 3,5-diaminobenzoate
CID 61323117
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
CID 43141547
(2-chloro-4-fluorophenyl)methyl-trifluoroboranuide
CID 63703825
(2-chloro-4-fluorophenyl)methyl 2-(2-aminophenyl)acetate
CID 61321843
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
(2-chloro-4-fluorophenyl)methyl 2-amino-6-methoxybenzoate
CID 81395079
2-chloro-1-[[3-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]-4-fluorobenzene
CID 155776367
2-bromo-5-[(2-chloro-4-fluorophenyl)methoxy]pyridine
CID 103695197

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)methyl sulfite?
The IUPAC name of (2-chloro-4-fluorophenyl)methyl sulfite (CID 174745780) is (2-chloro-4-fluorophenyl)methyl sulfite.
What is the SMILES notation for (2-chloro-4-fluorophenyl)methyl sulfite?
The canonical SMILES for (2-chloro-4-fluorophenyl)methyl sulfite is O=S([O-])OCc1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)methyl sulfite?
The InChIKey is POBPPVHVFVJBBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClFO3S/c8-7-3-6(9)2-1-5(7)4-12-13(10)11/h1-3H,4H2,(H,10,11)/p-1.
What are the key properties of (2-chloro-4-fluorophenyl)methyl sulfite?
(2-chloro-4-fluorophenyl)methyl sulfite has a molecular weight of 223.63 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)methyl sulfite is sourced from PubChem (CID 174745780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).