4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one

C9H7ClFNOS — CID 118526716

IUPAC4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one
SMILESO=C1CC(Sc2ccc(F)cc2Cl)N1
InChIInChI=1S/C9H7ClFNOS/c10-6-3-5(11)1-2-7(6)14-9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13)
InChIKeyWKZWUIVBIMTASR-UHFFFAOYSA-N
MW231.68 g/mol
LogP2.42
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one

4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one (PubChem CID 118526716) has the molecular formula C9H7ClFNOS and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one
PubChem CID118526716
Molecular FormulaC9H7ClFNOS
Molecular Weight231.68 g/mol
Exact Mass230.99
IUPAC Name4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one
SMILESO=C1CC(Sc2ccc(F)cc2Cl)N1
InChIInChI=1S/C9H7ClFNOS/c10-6-3-5(11)1-2-7(6)14-9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13)
InChIKeyWKZWUIVBIMTASR-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-Difluorophenyl)sulfanylazetidin-2-one
CID 118526691
4-(4-Fluorophenyl)sulfanylazetidin-2-one
CID 54346722
4-(2,4-Difluorophenyl)sulfanylazetidin-2-one
CID 101896516
4-(3-Chloro-4-fluorophenyl)sulfanylazetidin-2-one
CID 118526345
4-(2-Fluorophenyl)sulfanylazetidin-2-one
CID 118526378
4-(2,4-Dichlorophenyl)sulfanylazetidin-2-one
CID 118526527
4-(3-Fluorophenyl)sulfanylazetidin-2-one
CID 118526537
4-[(4-Chlorophenyl)sulfanyl]azetidin-2-one
CID 111483
2-(2-chloro-4-iodophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71014635
N-[2-(3-chlorophenyl)sulfanylethyl]-2,2,2-trifluoroacetamide
CID 91538015
4-(2-Chloro-4-fluorophenyl)sulfinylazetidin-2-one
CID 118526719
2-(2-Chloro-4-fluorophenyl)sulfanyl-1-piperazin-1-ylethanone
CID 142202312

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one (CID 118526716) is 4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one is O=C1CC(Sc2ccc(F)cc2Cl)N1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one?
The InChIKey is WKZWUIVBIMTASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNOS/c10-6-3-5(11)1-2-7(6)14-9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13).
What are the key properties of 4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one?
4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one has a molecular weight of 231.68 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)sulfanylazetidin-2-one is sourced from PubChem (CID 118526716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).