3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride

C16H15Cl3FNO — CID 71515620

IUPAC3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride
SMILESCl.Fc1cc([C@H](Oc2cccc(Cl)c2)C2CNC2)ccc1Cl
InChIInChI=1S/C16H14Cl2FNO.ClH/c17-12-2-1-3-13(7-12)21-16(11-8-20-9-11)10-4-5-14(18)15(19)6-10;/h1-7,11,16,20H,8-9H2;1H/t16-;/m0./s1
InChIKeyILHFTMFBWRDEJZ-NTISSMGPSA-N
MW362.66 g/mol
LogP4.89
Rot. Bonds4

About 3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride

3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride (PubChem CID 71515620) has the molecular formula C16H15Cl3FNO and a molecular weight of 362.66 g/mol. Its IUPAC name is 3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride
PubChem CID71515620
Molecular FormulaC16H15Cl3FNO
Molecular Weight362.66 g/mol
Exact Mass361.02
IUPAC Name3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride
SMILESCl.Fc1cc([C@H](Oc2cccc(Cl)c2)C2CNC2)ccc1Cl
InChIInChI=1S/C16H14Cl2FNO.ClH/c17-12-2-1-3-13(7-12)21-16(11-8-20-9-11)10-4-5-14(18)15(19)6-10;/h1-7,11,16,20H,8-9H2;1H/t16-;/m0./s1
InChIKeyILHFTMFBWRDEJZ-NTISSMGPSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(S)-(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine;hydrochloride
CID 71515544
3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine
CID 78094255
3-[(S)-(4-chloro-3-fluorophenyl)-(2-methylphenoxy)methyl]azetidine;hydrochloride
CID 71515548
3-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine
CID 90217872
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-[(3,4-dichlorophenoxy)-(3,4-dichlorophenyl)methyl]azetidine
CID 78094523
3-[(3-chloro-4-fluorophenyl)-(4-methylphenoxy)methyl]azetidine;hydrochloride
CID 90217797
3-[(S)-(4-chloro-3-fluorophenyl)-ethoxymethyl]azetidine
CID 71516473
3-[(R)-(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71516398
[(S)-azetidin-3-yl-(3,4-dichlorophenyl)methyl] benzoate
CID 71516067
3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
CID 71516267

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride?
The IUPAC name of 3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride (CID 71515620) is 3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride is Cl.Fc1cc([C@H](Oc2cccc(Cl)c2)C2CNC2)ccc1Cl.
What is the InChIKey of 3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride?
The InChIKey is ILHFTMFBWRDEJZ-NTISSMGPSA-N. The full InChI is InChI=1S/C16H14Cl2FNO.ClH/c17-12-2-1-3-13(7-12)21-16(11-8-20-9-11)10-4-5-14(18)15(19)6-10;/h1-7,11,16,20H,8-9H2;1H/t16-;/m0./s1.
What are the key properties of 3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride?
3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride has a molecular weight of 362.66 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride is sourced from PubChem (CID 71515620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).