2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol

C11H21BrF3NO — CID 107484736

IUPAC2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCC(CC)(CBr)CN(CCO)CC(F)(F)F
InChIInChI=1S/C11H21BrF3NO/c1-3-10(4-2,7-12)8-16(5-6-17)9-11(13,14)15/h17H,3-9H2,1-2H3
InChIKeyQQRKQQKSWFTNCL-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.04
Rot. Bonds8

About 2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484736) has the molecular formula C11H21BrF3NO and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484736
Molecular FormulaC11H21BrF3NO
Molecular Weight320.19 g/mol
Exact Mass319.08
IUPAC Name2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCC(CC)(CBr)CN(CCO)CC(F)(F)F
InChIInChI=1S/C11H21BrF3NO/c1-3-10(4-2,7-12)8-16(5-6-17)9-11(13,14)15/h17H,3-9H2,1-2H3
InChIKeyQQRKQQKSWFTNCL-UHFFFAOYSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486939
2-[[2-[(tert-butylamino)methyl]-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486903
2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
CID 62270229
2-[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 103865004
2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484786
2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 65005129
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107481342
2-[(4-ethylphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864838
2-[2,2-difluoroethyl-[2-ethyl-2-(sulfanylmethyl)butyl]amino]ethanol
CID 107494999
2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 115631860
2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine
CID 64998595

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107484736) is 2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol is CCC(CC)(CBr)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is QQRKQQKSWFTNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrF3NO/c1-3-10(4-2,7-12)8-16(5-6-17)9-11(13,14)15/h17H,3-9H2,1-2H3.
What are the key properties of 2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 320.19 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(bromomethyl)-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).