2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine

C13H16BrF2N — CID 116839210

IUPAC2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine
SMILESCc1ccc(Br)cc1C(F)(F)C1CCCCN1
InChIInChI=1S/C13H16BrF2N/c1-9-5-6-10(14)8-11(9)13(15,16)12-4-2-3-7-17-12/h5-6,8,12,17H,2-4,7H2,1H3
InChIKeyGBFFAWFWXVMCKF-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.99
Rot. Bonds2

About 2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine

2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine (PubChem CID 116839210) has the molecular formula C13H16BrF2N and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine.

Molecular Properties

Compound Name2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine
PubChem CID116839210
Molecular FormulaC13H16BrF2N
Molecular Weight304.18 g/mol
Exact Mass303.04
IUPAC Name2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine
SMILESCc1ccc(Br)cc1C(F)(F)C1CCCCN1
InChIInChI=1S/C13H16BrF2N/c1-9-5-6-10(14)8-11(9)13(15,16)12-4-2-3-7-17-12/h5-6,8,12,17H,2-4,7H2,1H3
InChIKeyGBFFAWFWXVMCKF-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine
CID 116839192
2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine
CID 84724881
2-[(3-bromo-4-methoxyphenyl)-difluoromethyl]piperidine
CID 116839169
2-[1-(4-bromophenyl)-1-fluoroethyl]pyrrolidine
CID 84730136
2-[difluoro(phenyl)methyl]azepane
CID 105483060
1-(5-bromo-2-methylphenyl)-3-tert-butyl-1,4-diazepane
CID 64943015
2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
CID 116839038
2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine
CID 116838944
2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine
CID 116839188
4-bromo-N-ethyl-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106641749
1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951206

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine?
The IUPAC name of 2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine (CID 116839210) is 2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine.
What is the SMILES notation for 2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine?
The canonical SMILES for 2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine is Cc1ccc(Br)cc1C(F)(F)C1CCCCN1.
What is the InChIKey of 2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine?
The InChIKey is GBFFAWFWXVMCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2N/c1-9-5-6-10(14)8-11(9)13(15,16)12-4-2-3-7-17-12/h5-6,8,12,17H,2-4,7H2,1H3.
What are the key properties of 2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine?
2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine has a molecular weight of 304.18 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine is sourced from PubChem (CID 116839210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).