3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine

C16H14ClF2N — CID 102621675

IUPAC3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
SMILESFc1ccc(Cl)c(CC2(c3ccccc3F)CNC2)c1
InChIInChI=1S/C16H14ClF2N/c17-14-6-5-12(18)7-11(14)8-16(9-20-10-16)13-3-1-2-4-15(13)19/h1-7,20H,8-10H2
InChIKeyBUTVICQPNZKCMO-UHFFFAOYSA-N
MW293.74 g/mol
LogP3.70
Rot. Bonds3

About 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine

3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine (PubChem CID 102621675) has the molecular formula C16H14ClF2N and a molecular weight of 293.74 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
PubChem CID102621675
Molecular FormulaC16H14ClF2N
Molecular Weight293.74 g/mol
Exact Mass293.08
IUPAC Name3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine
SMILESFc1ccc(Cl)c(CC2(c3ccccc3F)CNC2)c1
InChIInChI=1S/C16H14ClF2N/c17-14-6-5-12(18)7-11(14)8-16(9-20-10-16)13-3-1-2-4-15(13)19/h1-7,20H,8-10H2
InChIKeyBUTVICQPNZKCMO-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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine (CID 102621675) is 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine is Fc1ccc(Cl)c(CC2(c3ccccc3F)CNC2)c1.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine?
The InChIKey is BUTVICQPNZKCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N/c17-14-6-5-12(18)7-11(14)8-16(9-20-10-16)13-3-1-2-4-15(13)19/h1-7,20H,8-10H2.
What are the key properties of 3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine?
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)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-[(2-chloro-5-fluorophenyl)methyl]-3-(2-fluorophenyl)azetidine is sourced from PubChem (CID 102621675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).