N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C7H10BrF6NS — CID 107488513

IUPACN-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESFC(F)(F)CN(CCBr)CCSC(F)(F)F
InChIInChI=1S/C7H10BrF6NS/c8-1-2-15(5-6(9,10)11)3-4-16-7(12,13)14/h1-5H2
InChIKeyWSIDDSNAAPJOOU-UHFFFAOYSA-N
MW334.12 g/mol
LogP3.50
Rot. Bonds6

About N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 107488513) has the molecular formula C7H10BrF6NS and a molecular weight of 334.12 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID107488513
Molecular FormulaC7H10BrF6NS
Molecular Weight334.12 g/mol
Exact Mass332.96
IUPAC NameN-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESFC(F)(F)CN(CCBr)CCSC(F)(F)F
InChIInChI=1S/C7H10BrF6NS/c8-1-2-15(5-6(9,10)11)3-4-16-7(12,13)14/h1-5H2
InChIKeyWSIDDSNAAPJOOU-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.12
LogP ≤ 53.50
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)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 107488513) is N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is FC(F)(F)CN(CCBr)CCSC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is WSIDDSNAAPJOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrF6NS/c8-1-2-15(5-6(9,10)11)3-4-16-7(12,13)14/h1-5H2.
What are the key properties of N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 334.12 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 107488513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).