2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine

C13H14BrF4N — CID 107304128

IUPAC2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine
SMILESFc1cc(C(F)(F)F)ccc1N1CCCCC1CBr
InChIInChI=1S/C13H14BrF4N/c14-8-10-3-1-2-6-19(10)12-5-4-9(7-11(12)15)13(16,17)18/h4-5,7,10H,1-3,6,8H2
InChIKeyFQPAKKZCAABPPI-UHFFFAOYSA-N
MW340.16 g/mol
LogP4.60
Rot. Bonds2

About 2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine

2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine (PubChem CID 107304128) has the molecular formula C13H14BrF4N and a molecular weight of 340.16 g/mol. Its IUPAC name is 2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine
PubChem CID107304128
Molecular FormulaC13H14BrF4N
Molecular Weight340.16 g/mol
Exact Mass339.02
IUPAC Name2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine
SMILESFc1cc(C(F)(F)F)ccc1N1CCCCC1CBr
InChIInChI=1S/C13H14BrF4N/c14-8-10-3-1-2-6-19(10)12-5-4-9(7-11(12)15)13(16,17)18/h4-5,7,10H,1-3,6,8H2
InChIKeyFQPAKKZCAABPPI-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
CID 107303791
2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine
CID 107304083
[2-(bromomethyl)piperidin-1-yl]-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 80662604
2-(3-bromopropyl)-1-[2-bromo-4-(trifluoromethyl)phenyl]pyrrolidine
CID 115512327
3-(2-bromoethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine
CID 107304136
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
CID 107084939
2-(chloromethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpyrrolidine
CID 107304175
4-[2-(chloromethyl)piperidin-1-yl]-3-fluoroaniline
CID 141469083
(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 78939949
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-2-ethylpiperidine
CID 107079906
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388
2-bromo-1-[4-(trifluoromethyl)phenyl]piperidine
CID 151128728

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine (CID 107304128) is 2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine is Fc1cc(C(F)(F)F)ccc1N1CCCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is FQPAKKZCAABPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF4N/c14-8-10-3-1-2-6-19(10)12-5-4-9(7-11(12)15)13(16,17)18/h4-5,7,10H,1-3,6,8H2.
What are the key properties of 2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine?
2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 340.16 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 107304128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).