4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine

C13H16BrF2N — CID 112563662

IUPAC4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine
SMILESFc1ccc(CC(F)C2CCNCC2)cc1Br
InChIInChI=1S/C13H16BrF2N/c14-11-7-9(1-2-12(11)15)8-13(16)10-3-5-17-6-4-10/h1-2,7,10,13,17H,3-6,8H2
InChIKeyDWTUKOGWJVKXOV-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.47
Rot. Bonds3

About 4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine

4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine (PubChem CID 112563662) has the molecular formula C13H16BrF2N and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine
PubChem CID112563662
Molecular FormulaC13H16BrF2N
Molecular Weight304.18 g/mol
Exact Mass303.04
IUPAC Name4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine
SMILESFc1ccc(CC(F)C2CCNCC2)cc1Br
InChIInChI=1S/C13H16BrF2N/c14-11-7-9(1-2-12(11)15)8-13(16)10-3-5-17-6-4-10/h1-2,7,10,13,17H,3-6,8H2
InChIKeyDWTUKOGWJVKXOV-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine
CID 112563630
4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine
CID 112563707
4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine
CID 112563625
4-[2-(2,6-difluorophenyl)-1-fluoroethyl]piperidine
CID 114935288
4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112563753
4-[(3-bromo-4-fluorophenyl)methyl]azepane
CID 83262334
2-(3-bromo-4-fluorophenyl)-1-cyclobutylethanol
CID 64986950
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715714
3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine
CID 84713269
2-(3-bromo-4-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 64987034
[1-(3-bromo-4-fluorophenyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105253974
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine?
The IUPAC name of 4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine (CID 112563662) is 4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine?
The canonical SMILES for 4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine is Fc1ccc(CC(F)C2CCNCC2)cc1Br.
What is the InChIKey of 4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine?
The InChIKey is DWTUKOGWJVKXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2N/c14-11-7-9(1-2-12(11)15)8-13(16)10-3-5-17-6-4-10/h1-2,7,10,13,17H,3-6,8H2.
What are the key properties of 4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine?
4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine has a molecular weight of 304.18 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112563662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).