3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine

C17H14ClF4NO2 — CID 71515688

IUPAC3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine
SMILESFc1cc([C@H](Oc2ccccc2OC(F)(F)F)C2CNC2)ccc1Cl
InChIInChI=1S/C17H14ClF4NO2/c18-12-6-5-10(7-13(12)19)16(11-8-23-9-11)24-14-3-1-2-4-15(14)25-17(20,21)22/h1-7,11,16,23H,8-9H2/t16-/m0/s1
InChIKeySLUQVMMCTKNSDK-INIZCTEOSA-N
MW375.75 g/mol
LogP4.72
Rot. Bonds5

About 3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine

3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine (PubChem CID 71515688) has the molecular formula C17H14ClF4NO2 and a molecular weight of 375.75 g/mol. Its IUPAC name is 3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine.

Molecular Properties

Compound Name3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine
PubChem CID71515688
Molecular FormulaC17H14ClF4NO2
Molecular Weight375.75 g/mol
Exact Mass375.06
IUPAC Name3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine
SMILESFc1cc([C@H](Oc2ccccc2OC(F)(F)F)C2CNC2)ccc1Cl
InChIInChI=1S/C17H14ClF4NO2/c18-12-6-5-10(7-13(12)19)16(11-8-23-9-11)24-14-3-1-2-4-15(14)25-17(20,21)22/h1-7,11,16,23H,8-9H2/t16-/m0/s1
InChIKeySLUQVMMCTKNSDK-INIZCTEOSA-N
XLogP4.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.75
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(S)-(4-chloro-3-fluorophenyl)-(2-methylphenoxy)methyl]azetidine;hydrochloride
CID 71515548
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)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 71515620
3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71516398
3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine
CID 71516473
3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine
CID 90217872
3-[2-(4-chloro-3-fluorophenyl)-2-(2-fluorophenoxy)ethyl]azetidine
CID 118706538
3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
CID 71516267
3-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine
CID 78094523
3-[(3-chloro-4-fluorophenyl)-(4-methylphenoxy)methyl]azetidine;hydrochloride
CID 90217797
2-[(S)-phenyl-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
CID 68542186

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine?
The IUPAC name of 3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine (CID 71515688) is 3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine.
What is the SMILES notation for 3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine?
The canonical SMILES for 3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine is Fc1cc([C@H](Oc2ccccc2OC(F)(F)F)C2CNC2)ccc1Cl.
What is the InChIKey of 3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine?
The InChIKey is SLUQVMMCTKNSDK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14ClF4NO2/c18-12-6-5-10(7-13(12)19)16(11-8-23-9-11)24-14-3-1-2-4-15(14)25-17(20,21)22/h1-7,11,16,23H,8-9H2/t16-/m0/s1.
What are the key properties of 3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine?
3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine has a molecular weight of 375.75 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine is sourced from PubChem (CID 71515688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).