N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide

C5H9BrF3NO2S — CID 107492910

IUPACN-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C5H9BrF3NO2S/c1-13(11,12)10(3-2-6)4-5(7,8)9/h2-4H2,1H3
InChIKeyOJUDEWOPLDNWFM-UHFFFAOYSA-N
MW284.10 g/mol
LogP1.21
Rot. Bonds4

About N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 107492910) has the molecular formula C5H9BrF3NO2S and a molecular weight of 284.10 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID107492910
Molecular FormulaC5H9BrF3NO2S
Molecular Weight284.10 g/mol
Exact Mass282.95
IUPAC NameN-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C5H9BrF3NO2S/c1-13(11,12)10(3-2-6)4-5(7,8)9/h2-4H2,1H3
InChIKeyOJUDEWOPLDNWFM-UHFFFAOYSA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 107492910) is N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is CS(=O)(=O)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is OJUDEWOPLDNWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrF3NO2S/c1-13(11,12)10(3-2-6)4-5(7,8)9/h2-4H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 284.10 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 107492910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).