3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine

C16H14ClF2N — CID 79460198

IUPAC3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
SMILESFc1ccc(F)c(CC2(c3cccc(Cl)c3)CNC2)c1
InChIInChI=1S/C16H14ClF2N/c17-13-3-1-2-12(7-13)16(9-20-10-16)8-11-6-14(18)4-5-15(11)19/h1-7,20H,8-10H2
InChIKeyLMIRFDYRYKEQSP-UHFFFAOYSA-N
MW293.74 g/mol
LogP3.70
Rot. Bonds3

About 3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine

3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine (PubChem CID 79460198) has the molecular formula C16H14ClF2N and a molecular weight of 293.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
PubChem CID79460198
Molecular FormulaC16H14ClF2N
Molecular Weight293.74 g/mol
Exact Mass293.08
IUPAC Name3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
SMILESFc1ccc(F)c(CC2(c3cccc(Cl)c3)CNC2)c1
InChIInChI=1S/C16H14ClF2N/c17-13-3-1-2-12(7-13)16(9-20-10-16)8-11-6-14(18)4-5-15(11)19/h1-7,20H,8-10H2
InChIKeyLMIRFDYRYKEQSP-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-chloro-3-fluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 115984680
3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
CID 79460293
3-[(2-chloro-5-fluorophenyl)methyl]-3-(4-chlorophenyl)azetidine
CID 102621662
3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 79459620
3-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)azetidine
CID 79460976
3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine
CID 105376161
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 106273183
3-[(2-bromo-5-fluorophenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79460878
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
CID 79460298
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
CID 102621675
3-[(4-bromothiophen-2-yl)methyl]-3-(3-chlorophenyl)azetidine
CID 79460593
3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79451271

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine?
The IUPAC name of 3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine (CID 79460198) is 3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine.
What is the SMILES notation for 3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine?
The canonical SMILES for 3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine is Fc1ccc(F)c(CC2(c3cccc(Cl)c3)CNC2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine?
The InChIKey is LMIRFDYRYKEQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N/c17-13-3-1-2-12(7-13)16(9-20-10-16)8-11-6-14(18)4-5-15(11)19/h1-7,20H,8-10H2.
What are the key properties of 3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine?
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine has a molecular weight of 293.74 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine is sourced from PubChem (CID 79460198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).