2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine

C7H12BrF2NO2S — CID 80677064

IUPAC2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine
SMILESO=S(=O)(C(F)F)N1CCCCC1CBr
InChIInChI=1S/C7H12BrF2NO2S/c8-5-6-3-1-2-4-11(6)14(12,13)7(9)10/h6-7H,1-5H2
InChIKeyXUDILPWIFZJSTN-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.79
Rot. Bonds3

About 2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine

2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine (PubChem CID 80677064) has the molecular formula C7H12BrF2NO2S and a molecular weight of 292.15 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine
PubChem CID80677064
Molecular FormulaC7H12BrF2NO2S
Molecular Weight292.15 g/mol
Exact Mass290.97
IUPAC Name2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine
SMILESO=S(=O)(C(F)F)N1CCCCC1CBr
InChIInChI=1S/C7H12BrF2NO2S/c8-5-6-3-1-2-4-11(6)14(12,13)7(9)10/h6-7H,1-5H2
InChIKeyXUDILPWIFZJSTN-UHFFFAOYSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Bromoethyl)-1-(trifluoromethylsulfonyl)piperidine
CID 57850043
2-(Bromomethyl)-1-(difluoromethylsulfonyl)pyrrolidine
CID 80666763
4-(Bromomethyl)-1-(difluoromethylsulfonyl)piperidine
CID 80668701
N-(2-bromoethyl)-N-cyclohexyl-1,1-difluoromethanesulfonamide
CID 80669304
2-(2-Bromoethyl)-1-(difluoromethylsulfonyl)piperidine
CID 80671805
4-Bromo-1-(difluoromethylsulfonyl)piperidine
CID 80672925
3-(Bromomethyl)-1-(difluoromethylsulfonyl)piperidine
CID 80676270
3-Bromo-1-(difluoromethylsulfonyl)piperidine
CID 80676362
2-(Bromomethyl)-1-(4,4,4-trifluorobutylsulfonyl)piperidine
CID 83058400
2-(2-Bromoethyl)-1-(4,4,4-trifluorobutylsulfonyl)piperidine
CID 83059588
1-(Methylsulfonyl)-2-(trifluoromethyl)piperidine
CID 92092636
1-(Difluoromethylsulfonyl)-2-methylpiperidine
CID 130676568

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine?
The IUPAC name of 2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine (CID 80677064) is 2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine.
What is the SMILES notation for 2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine?
The canonical SMILES for 2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine is O=S(=O)(C(F)F)N1CCCCC1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine?
The InChIKey is XUDILPWIFZJSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrF2NO2S/c8-5-6-3-1-2-4-11(6)14(12,13)7(9)10/h6-7H,1-5H2.
What are the key properties of 2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine?
2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine has a molecular weight of 292.15 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(difluoromethylsulfonyl)piperidine is sourced from PubChem (CID 80677064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).