3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine

C17H14Cl2F3NO2 — CID 71516398

IUPAC3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine
SMILESFC(F)(F)Oc1ccc(O[C@@H](c2ccc(Cl)c(Cl)c2)C2CNC2)cc1
InChIInChI=1S/C17H14Cl2F3NO2/c18-14-6-1-10(7-15(14)19)16(11-8-23-9-11)24-12-2-4-13(5-3-12)25-17(20,21)22/h1-7,11,16,23H,8-9H2/t16-/m0/s1
InChIKeyWVZYEAKARXDEHX-INIZCTEOSA-N
MW392.20 g/mol
LogP5.23
Rot. Bonds5

About 3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine

3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine (PubChem CID 71516398) has the molecular formula C17H14Cl2F3NO2 and a molecular weight of 392.20 g/mol. Its IUPAC name is 3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine.

Molecular Properties

Compound Name3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine
PubChem CID71516398
Molecular FormulaC17H14Cl2F3NO2
Molecular Weight392.20 g/mol
Exact Mass391.04
IUPAC Name3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine
SMILESFC(F)(F)Oc1ccc(O[C@@H](c2ccc(Cl)c(Cl)c2)C2CNC2)cc1
InChIInChI=1S/C17H14Cl2F3NO2/c18-14-6-1-10(7-15(14)19)16(11-8-23-9-11)24-12-2-4-13(5-3-12)25-17(20,21)22/h1-7,11,16,23H,8-9H2/t16-/m0/s1
InChIKeyWVZYEAKARXDEHX-INIZCTEOSA-N
XLogP5.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.20
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine
CID 78094523
3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine
CID 90217872
3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine
CID 78094255
3-[(S)-(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine;hydrochloride
CID 71515544
3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine
CID 71516269
3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71515688
3-[(3-chloro-4-fluorophenyl)-(4-methylphenoxy)methyl]azetidine;hydrochloride
CID 90217797
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
CID 71516267
3-[cyclopentyloxy-(3,4-dichlorophenyl)methyl]azetidine;hydrochloride
CID 86722613
3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 71515620
N-[(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]piperazine-1-carboxamide
CID 140523911

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine?
The IUPAC name of 3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine (CID 71516398) is 3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine.
What is the SMILES notation for 3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine?
The canonical SMILES for 3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine is FC(F)(F)Oc1ccc(O[C@@H](c2ccc(Cl)c(Cl)c2)C2CNC2)cc1.
What is the InChIKey of 3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine?
The InChIKey is WVZYEAKARXDEHX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14Cl2F3NO2/c18-14-6-1-10(7-15(14)19)16(11-8-23-9-11)24-12-2-4-13(5-3-12)25-17(20,21)22/h1-7,11,16,23H,8-9H2/t16-/m0/s1.
What are the key properties of 3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine?
3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine has a molecular weight of 392.20 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine is sourced from PubChem (CID 71516398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).