N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C8H16BrF3N2 — CID 107488476

IUPACN'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(C)CCN(CCBr)CC(F)(F)F
InChIInChI=1S/C8H16BrF3N2/c1-13(2)5-6-14(4-3-9)7-8(10,11)12/h3-7H2,1-2H3
InChIKeyKJCZADHKFRZHSG-UHFFFAOYSA-N
MW277.13 g/mol
LogP1.81
Rot. Bonds6

About N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107488476) has the molecular formula C8H16BrF3N2 and a molecular weight of 277.13 g/mol. Its IUPAC name is N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107488476
Molecular FormulaC8H16BrF3N2
Molecular Weight277.13 g/mol
Exact Mass276.04
IUPAC NameN'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(C)CCN(CCBr)CC(F)(F)F
InChIInChI=1S/C8H16BrF3N2/c1-13(2)5-6-14(4-3-9)7-8(10,11)12/h3-7H2,1-2H3
InChIKeyKJCZADHKFRZHSG-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 51.81
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

N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 107488246
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)octan-1-amine
CID 107488181
N-(2-bromoethyl)-N-(2-ethylsulfanylethyl)-2,2,2-trifluoroethanamine
CID 107488447
N-(2-bromoethyl)-3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 107488262
N-(2-bromoethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 107488353
N-(2-bromoethyl)-3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107488389
N'-(2-chloroethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 107488929
N-(2-bromoethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-en-1-amine
CID 107901327
N-methyl-N',N'-bis[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 140748013
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 107488601
2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride
CID 87517073
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 107488340

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107488476) is N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(C)CCN(CCBr)CC(F)(F)F.
What is the InChIKey of N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is KJCZADHKFRZHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrF3N2/c1-13(2)5-6-14(4-3-9)7-8(10,11)12/h3-7H2,1-2H3.
What are the key properties of N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 277.13 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromoethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107488476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).