(2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone

C13H14F3NO3 — CID 119101597

IUPAC(2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C13H14F3NO3/c1-19-11-5-3-2-4-10(11)12(18)17-6-9(7-17)20-8-13(14,15)16/h2-5,9H,6-8H2,1H3
InChIKeyKBIKGAGRPIAHBI-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.10
Rot. Bonds4

About (2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone

(2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone (PubChem CID 119101597) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is (2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
PubChem CID119101597
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name(2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C13H14F3NO3/c1-19-11-5-3-2-4-10(11)12(18)17-6-9(7-17)20-8-13(14,15)16/h2-5,9H,6-8H2,1H3
InChIKeyKBIKGAGRPIAHBI-UHFFFAOYSA-N
XLogP2.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 123539708
[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone
CID 53089696
(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662304
furan-2-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
CID 119101589
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108544120
(2-methoxyphenyl)-(3-methyl-4-phenylpyrrolidin-1-yl)methanone
CID 110868744
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53034644
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
N-[(3R,4R)-4-hydroxy-1-(2-methoxybenzoyl)pyrrolidin-3-yl]acetamide
CID 110132924

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone (CID 119101597) is (2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone is COc1ccccc1C(=O)N1CC(OCC(F)(F)F)C1.
What is the InChIKey of (2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
The InChIKey is KBIKGAGRPIAHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-19-11-5-3-2-4-10(11)12(18)17-6-9(7-17)20-8-13(14,15)16/h2-5,9H,6-8H2,1H3.
What are the key properties of (2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
(2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone has a molecular weight of 289.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 119101597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).