3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine

C16H14ClF2NO — CID 78094255

IUPAC3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine
SMILESFc1ccc(OC(c2ccc(Cl)c(F)c2)C2CNC2)cc1
InChIInChI=1S/C16H14ClF2NO/c17-14-6-1-10(7-15(14)19)16(11-8-20-9-11)21-13-4-2-12(18)3-5-13/h1-7,11,16,20H,8-9H2
InChIKeyHWUFYTCFNAIIOA-UHFFFAOYSA-N
MW309.74 g/mol
LogP3.96
Rot. Bonds4

About 3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine

3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine (PubChem CID 78094255) has the molecular formula C16H14ClF2NO and a molecular weight of 309.74 g/mol. Its IUPAC name is 3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine.

Molecular Properties

Compound Name3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine
PubChem CID78094255
Molecular FormulaC16H14ClF2NO
Molecular Weight309.74 g/mol
Exact Mass309.07
IUPAC Name3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine
SMILESFc1ccc(OC(c2ccc(Cl)c(F)c2)C2CNC2)cc1
InChIInChI=1S/C16H14ClF2NO/c17-14-6-1-10(7-15(14)19)16(11-8-20-9-11)21-13-4-2-12(18)3-5-13/h1-7,11,16,20H,8-9H2
InChIKeyHWUFYTCFNAIIOA-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 53.96
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-[(3-chloro-4-fluorophenyl)-(4-chlorophenoxy)methyl]azetidine
CID 90217872
3-[(R)-(4-chloro-3-fluorophenyl)-(3-chlorophenoxy)methyl]azetidine;hydrochloride
CID 71515620
3-[(R)-(4-chloro-3-fluorophenyl)-[2-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71515688
3-[(S)-(4-chloro-3-fluorophenyl)-(2-methylphenoxy)methyl]azetidine;hydrochloride
CID 71515548
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
3-[(R)-(3,4-dichlorophenyl)-(3-methylphenoxy)methyl]azetidine
CID 71516269
3-[2-(4-chloro-3-fluorophenyl)-2-(2-fluorophenoxy)ethyl]azetidine
CID 118706538
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 107993056

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine?
The IUPAC name of 3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine (CID 78094255) is 3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine.
What is the SMILES notation for 3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine?
The canonical SMILES for 3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine is Fc1ccc(OC(c2ccc(Cl)c(F)c2)C2CNC2)cc1.
What is the InChIKey of 3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine?
The InChIKey is HWUFYTCFNAIIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO/c17-14-6-1-10(7-15(14)19)16(11-8-20-9-11)21-13-4-2-12(18)3-5-13/h1-7,11,16,20H,8-9H2.
What are the key properties of 3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine?
3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine has a molecular weight of 309.74 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-fluorophenyl)-(4-fluorophenoxy)methyl]azetidine is sourced from PubChem (CID 78094255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).