1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone

C19H17ClF3NO3 — CID 87365918

IUPAC1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(Oc1ccc(Cl)cc1OC1CN(C(=O)C(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C19H17ClF3NO3/c1-12(13-5-3-2-4-6-13)26-16-8-7-14(20)9-17(16)27-15-10-24(11-15)18(25)19(21,22)23/h2-9,12,15H,10-11H2,1H3
InChIKeyMFOKPKRNHDKVFA-UHFFFAOYSA-N
MW399.80 g/mol
LogP4.63
Rot. Bonds5

About 1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone

1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 87365918) has the molecular formula C19H17ClF3NO3 and a molecular weight of 399.80 g/mol. Its IUPAC name is 1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID87365918
Molecular FormulaC19H17ClF3NO3
Molecular Weight399.80 g/mol
Exact Mass399.08
IUPAC Name1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(Oc1ccc(Cl)cc1OC1CN(C(=O)C(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C19H17ClF3NO3/c1-12(13-5-3-2-4-6-13)26-16-8-7-14(20)9-17(16)27-15-10-24(11-15)18(25)19(21,22)23/h2-9,12,15H,10-11H2,1H3
InChIKeyMFOKPKRNHDKVFA-UHFFFAOYSA-N
XLogP4.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.80
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

3-[5-chloro-2-[(1S)-1-[3-(trifluoromethyl)phenyl]ethoxy]phenoxy]azetidine;2,2,2-trifluoroacetic acid
CID 87365346
1-tert-butyl-3-[5-chloro-2-[1-[3-(trifluoromethyl)phenyl]ethoxy]phenoxy]azetidine
CID 58405210
3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine
CID 67346288
3-[2-(1-phenylethoxy)-5-(trifluoromethyl)phenoxy]azetidine;hydrochloride
CID 67347792
3-[5-chloro-2-(2-methylphenoxy)phenoxy]azetidine;2,2,2-trifluoroacetic acid
CID 67347020
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
[3-[5-chloro-2-(4-chlorophenoxy)phenoxy]azetidin-1-yl] 2,2,2-trifluoroacetate
CID 67347123
tert-butyl 3-(5-chloro-2-iodophenoxy)azetidine-1-carboxylate
CID 175686853
2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one
CID 75483886
N-[[4-[1-(4-chlorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylbenzamide
CID 20524556
methyl 3-methoxy-4-[(1S)-1-phenylethoxy]benzoate
CID 121407788
5-chloro-2-(1-phenylethoxy)benzenecarboximidamide
CID 62494768

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone (CID 87365918) is 1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone is CC(Oc1ccc(Cl)cc1OC1CN(C(=O)C(F)(F)F)C1)c1ccccc1.
What is the InChIKey of 1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is MFOKPKRNHDKVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO3/c1-12(13-5-3-2-4-6-13)26-16-8-7-14(20)9-17(16)27-15-10-24(11-15)18(25)19(21,22)23/h2-9,12,15H,10-11H2,1H3.
What are the key properties of 1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone?
1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 399.80 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-chloro-2-(1-phenylethoxy)phenoxy]azetidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 87365918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).