2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone

C12H12F3NO — CID 116582339

IUPAC2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CC1CNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-3-1-2-9(5-10)11(17)4-8-6-16-7-8/h1-3,5,8,16H,4,6-7H2
InChIKeyLOLKXDHVDQFMPQ-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.50
Rot. Bonds3

About 2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone

2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 116582339) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID116582339
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(CC1CNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3NO/c13-12(14,15)10-3-1-2-9(5-10)11(17)4-8-6-16-7-8/h1-3,5,8,16H,4,6-7H2
InChIKeyLOLKXDHVDQFMPQ-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
2-cyclopentylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 2381216
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 79558524
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120660239
2-cyclohexylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanone
CID 65139426
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350
2-(azetidin-3-yl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129770
1-(azetidin-3-ylmethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 117235419
N-[2-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 59556091
2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 155212094
2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 113220833
1-(2,3-dihydro-1,4-benzodithiin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 78323532

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone (CID 116582339) is 2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(CC1CNC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is LOLKXDHVDQFMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c13-12(14,15)10-3-1-2-9(5-10)11(17)4-8-6-16-7-8/h1-3,5,8,16H,4,6-7H2.
What are the key properties of 2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone?
2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 243.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 116582339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).