3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine

C15H19BrFN — CID 112571305

IUPAC3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine
SMILESFc1ccc(CC2(C3CCCC3)CNC2)c(Br)c1
InChIInChI=1S/C15H19BrFN/c16-14-7-13(17)6-5-11(14)8-15(9-18-10-15)12-3-1-2-4-12/h5-7,12,18H,1-4,8-10H2
InChIKeyMZVPAZYETIQXSZ-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.91
Rot. Bonds3

About 3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine

3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine (PubChem CID 112571305) has the molecular formula C15H19BrFN and a molecular weight of 312.23 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine
PubChem CID112571305
Molecular FormulaC15H19BrFN
Molecular Weight312.23 g/mol
Exact Mass311.07
IUPAC Name3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine
SMILESFc1ccc(CC2(C3CCCC3)CNC2)c(Br)c1
InChIInChI=1S/C15H19BrFN/c16-14-7-13(17)6-5-11(14)8-15(9-18-10-15)12-3-1-2-4-12/h5-7,12,18H,1-4,8-10H2
InChIKeyMZVPAZYETIQXSZ-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-bromo-4-fluorophenyl)methyl]-3-(4-bromophenyl)azetidine
CID 79460518
2-[(2-bromo-4-fluorophenyl)methyl]-2-cyclopropylazepane
CID 79117461
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
3-[(2-bromo-4-fluorophenyl)methyl]piperidin-3-ol
CID 65145893
3-[(4-bromothiophen-2-yl)methyl]-3-cyclopentylazetidine
CID 112571345
2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 61382402
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 65151801
3-[(2-bromo-5-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563367
N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 63458821
N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192224
2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene
CID 66033772
1-[(2,4-difluorophenyl)methyl]bicyclo[3.1.0]hexane
CID 140989722

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine?
The IUPAC name of 3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine (CID 112571305) is 3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine?
The canonical SMILES for 3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine is Fc1ccc(CC2(C3CCCC3)CNC2)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine?
The InChIKey is MZVPAZYETIQXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN/c16-14-7-13(17)6-5-11(14)8-15(9-18-10-15)12-3-1-2-4-12/h5-7,12,18H,1-4,8-10H2.
What are the key properties of 3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine?
3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine has a molecular weight of 312.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-fluorophenyl)methyl]-3-cyclopentylazetidine is sourced from PubChem (CID 112571305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).