4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one

C10H8F3NOS — CID 118526400

IUPAC4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one
SMILESO=C1CC(Sc2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C10H8F3NOS/c11-10(12,13)6-1-3-7(4-2-6)16-9-5-8(15)14-9/h1-4,9H,5H2,(H,14,15)
InChIKeyMYTUNYHRCHOHIT-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.64
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one

4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one (PubChem CID 118526400) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one
PubChem CID118526400
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC Name4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one
SMILESO=C1CC(Sc2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C10H8F3NOS/c11-10(12,13)6-1-3-7(4-2-6)16-9-5-8(15)14-9/h1-4,9H,5H2,(H,14,15)
InChIKeyMYTUNYHRCHOHIT-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 846730
3-[(4-methylphenyl)sulfanyl]-N-(propan-2-yl)propanamide
CID 848239
N-(2-tert-butylsulfanylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2289294
4-(3,4-Difluorophenyl)sulfanylazetidin-2-one
CID 118526691
4-(Phenylthio)azetidin-2-one
CID 182063
N-methyl-3-[(4-methylphenyl)sulfanyl]propanamide
CID 848218
N-butyl-3-[(4-methylphenyl)sulfanyl]propanamide
CID 1815783
2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 2192711
2-[(4-methylphenyl)sulfanyl]-N-(2-methylpropyl)propanamide
CID 2942383
N-butan-2-yl-3-(4-methylphenyl)sulfanylpropanamide
CID 3420635
4-(4-Fluorophenyl)sulfanylazetidin-2-one
CID 54346722
4-(2,4-Difluorophenyl)sulfanylazetidin-2-one
CID 101896516

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one (CID 118526400) is 4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one is O=C1CC(Sc2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one?
The InChIKey is MYTUNYHRCHOHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NOS/c11-10(12,13)6-1-3-7(4-2-6)16-9-5-8(15)14-9/h1-4,9H,5H2,(H,14,15).
What are the key properties of 4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one?
4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one has a molecular weight of 247.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]sulfanylazetidin-2-one is sourced from PubChem (CID 118526400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).