3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine

C10H10BrF2N — CID 112563405

IUPAC3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine
SMILESFc1ccc(Br)cc1CC1(F)CNC1
InChIInChI=1S/C10H10BrF2N/c11-8-1-2-9(12)7(3-8)4-10(13)5-14-6-10/h1-3,14H,4-6H2
InChIKeyQOHNXNFYLFBHIQ-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.44
Rot. Bonds2

About 3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine

3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine (PubChem CID 112563405) has the molecular formula C10H10BrF2N and a molecular weight of 262.10 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine
PubChem CID112563405
Molecular FormulaC10H10BrF2N
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine
SMILESFc1ccc(Br)cc1CC1(F)CNC1
InChIInChI=1S/C10H10BrF2N/c11-8-1-2-9(12)7(3-8)4-10(13)5-14-6-10/h1-3,14H,4-6H2
InChIKeyQOHNXNFYLFBHIQ-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)azetidine
CID 79460230
3-[(2-bromo-5-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563367
[1-[(5-bromo-2-fluorophenyl)methyl]cyclopropyl]methanamine
CID 66023755
4-[(5-bromo-2-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 55178564
3-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoropyrrolidine
CID 112564422
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 106798566
1-[(5-bromo-2-fluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 66023748
2-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466031
4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine
CID 103052130
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine (CID 112563405) is 3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine is Fc1ccc(Br)cc1CC1(F)CNC1.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine?
The InChIKey is QOHNXNFYLFBHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N/c11-8-1-2-9(12)7(3-8)4-10(13)5-14-6-10/h1-3,14H,4-6H2.
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine?
3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine has a molecular weight of 262.10 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methyl]-3-fluoroazetidine is sourced from PubChem (CID 112563405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).