3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine

C13H16BrF2N — CID 112564899

IUPAC3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine
SMILESCC(F)(c1cc(Br)ccc1F)C1CCCNC1
InChIInChI=1S/C13H16BrF2N/c1-13(16,9-3-2-6-17-8-9)11-7-10(14)4-5-12(11)15/h4-5,7,9,17H,2-3,6,8H2,1H3
InChIKeyRSZLKNFHCWWANB-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.77
Rot. Bonds2

About 3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine

3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine (PubChem CID 112564899) has the molecular formula C13H16BrF2N and a molecular weight of 304.18 g/mol. Its IUPAC name is 3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine
PubChem CID112564899
Molecular FormulaC13H16BrF2N
Molecular Weight304.18 g/mol
Exact Mass303.04
IUPAC Name3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine
SMILESCC(F)(c1cc(Br)ccc1F)C1CCCNC1
InChIInChI=1S/C13H16BrF2N/c1-13(16,9-3-2-6-17-8-9)11-7-10(14)4-5-12(11)15/h4-5,7,9,17H,2-3,6,8H2,1H3
InChIKeyRSZLKNFHCWWANB-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-5-methylphenyl)-1-piperidin-3-ylethanol
CID 63586093
3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine
CID 113471739
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
CID 112564951
3-[1-(2,3-dichlorophenyl)-1-fluoroethyl]piperidine
CID 112564829
3-[1-fluoro-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112564921
1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol
CID 63587550
3-[1-(5-bromo-2-methoxyphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564975
5-bromo-2-fluoro-N-methyl-N-(piperidin-3-ylmethyl)aniline
CID 115209597
1-(3-bromo-4-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611174
3-[1-fluoro-1-(2-propoxyphenyl)ethyl]piperidine
CID 104663559
3-[1-fluoro-1-(4-propan-2-ylphenyl)ethyl]piperidine
CID 112564886
1-(3,4-difluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611258

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine (CID 112564899) is 3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine is CC(F)(c1cc(Br)ccc1F)C1CCCNC1.
What is the InChIKey of 3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine?
The InChIKey is RSZLKNFHCWWANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2N/c1-13(16,9-3-2-6-17-8-9)11-7-10(14)4-5-12(11)15/h4-5,7,9,17H,2-3,6,8H2,1H3.
What are the key properties of 3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine?
3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine has a molecular weight of 304.18 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112564899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).