(5-chloro-2-fluorophenyl)methyl hydrogen sulfite

C7H6ClFO3S — CID 174745761

IUPAC(5-chloro-2-fluorophenyl)methyl hydrogen sulfite
SMILESO=S(O)OCc1cc(Cl)ccc1F
InChIInChI=1S/C7H6ClFO3S/c8-6-1-2-7(9)5(3-6)4-12-13(10)11/h1-3H,4H2,(H,10,11)
InChIKeyCHBCGWDVEUDTGU-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.13
Rot. Bonds3

About (5-chloro-2-fluorophenyl)methyl hydrogen sulfite

(5-chloro-2-fluorophenyl)methyl hydrogen sulfite (PubChem CID 174745761) has the molecular formula C7H6ClFO3S and a molecular weight of 224.64 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)methyl hydrogen sulfite.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)methyl hydrogen sulfite
PubChem CID174745761
Molecular FormulaC7H6ClFO3S
Molecular Weight224.64 g/mol
Exact Mass223.97
IUPAC Name(5-chloro-2-fluorophenyl)methyl hydrogen sulfite
SMILESO=S(O)OCc1cc(Cl)ccc1F
InChIInChI=1S/C7H6ClFO3S/c8-6-1-2-7(9)5(3-6)4-12-13(10)11/h1-3H,4H2,(H,10,11)
InChIKeyCHBCGWDVEUDTGU-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4,5-trifluorophenyl)methyl hydrogen sulfite
CID 174745879
(4-chloro-3-fluorophenyl)methyl hydrogen sulfite
CID 174745744
2-[(5-chloro-2-fluorophenyl)methoxy]acetohydrazide
CID 116845510
[4-(aminomethyl)-3-fluorophenyl]methyl hydrogen sulfite
CID 174576617
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
2-[(5-chloro-2-fluorophenyl)methylsulfinyl]acetic acid
CID 103049315
1-(5-chloro-2-fluorophenyl)-3-methoxybutan-2-one
CID 103048080
[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046936
2-(5-chloro-2-fluorophenyl)-N'-methylacetohydrazide
CID 116846232
(5-chloro-2-fluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 103049371
1-(5-chloro-2-fluorophenyl)-3-methoxy-4-methylpentan-2-one
CID 103048145
1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 103046643

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)methyl hydrogen sulfite?
The IUPAC name of (5-chloro-2-fluorophenyl)methyl hydrogen sulfite (CID 174745761) is (5-chloro-2-fluorophenyl)methyl hydrogen sulfite.
What is the SMILES notation for (5-chloro-2-fluorophenyl)methyl hydrogen sulfite?
The canonical SMILES for (5-chloro-2-fluorophenyl)methyl hydrogen sulfite is O=S(O)OCc1cc(Cl)ccc1F.
What is the InChIKey of (5-chloro-2-fluorophenyl)methyl hydrogen sulfite?
The InChIKey is CHBCGWDVEUDTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO3S/c8-6-1-2-7(9)5(3-6)4-12-13(10)11/h1-3H,4H2,(H,10,11).
What are the key properties of (5-chloro-2-fluorophenyl)methyl hydrogen sulfite?
(5-chloro-2-fluorophenyl)methyl hydrogen sulfite has a molecular weight of 224.64 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)methyl hydrogen sulfite is sourced from PubChem (CID 174745761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).