4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one

C11H8F3NO2 — CID 171061640

IUPAC4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one
SMILESC=C1CC(=O)N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H8F3NO2/c1-7-6-10(16)15(7)8-2-4-9(5-3-8)17-11(12,13)14/h2-5H,1,6H2
InChIKeyYKYBHNLKQXXCND-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.84
Rot. Bonds2

About 4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one

4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one (PubChem CID 171061640) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one.

Molecular Properties

Compound Name4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one
PubChem CID171061640
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one
SMILESC=C1CC(=O)N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H8F3NO2/c1-7-6-10(16)15(7)8-2-4-9(5-3-8)17-11(12,13)14/h2-5H,1,6H2
InChIKeyYKYBHNLKQXXCND-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,7aS)-2-[4-(trifluoromethoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98353834
7-[4-(trifluoromethoxy)phenyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 115564979
1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 115564944
(5R)-5-piperidin-1-ium-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 7298512
(5R)-5-piperidin-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 7298513
6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione
CID 2822707
5-sulfanylidene-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazolidin-3-one
CID 25196619
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
(3S)-3-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 1262979
(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
CID 2058986
(1S,5R)-1,8,8-trimethyl-3-[4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 2190599
1-[4-(trifluoromethoxy)phenyl]pyrazolidine
CID 141290039

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one?
The IUPAC name of 4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one (CID 171061640) is 4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one.
What is the SMILES notation for 4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one?
The canonical SMILES for 4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one is C=C1CC(=O)N1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one?
The InChIKey is YKYBHNLKQXXCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c1-7-6-10(16)15(7)8-2-4-9(5-3-8)17-11(12,13)14/h2-5H,1,6H2.
What are the key properties of 4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one?
4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one has a molecular weight of 243.18 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one is sourced from PubChem (CID 171061640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).