2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol

C7H11BrF3NO — CID 103856843

IUPAC2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(Br)CN(CCO)CC(F)(F)F
InChIInChI=1S/C7H11BrF3NO/c1-6(8)4-12(2-3-13)5-7(9,10)11/h13H,1-5H2
InChIKeyIDTPVEWWVABXDY-UHFFFAOYSA-N
MW262.07 g/mol
LogP1.75
Rot. Bonds5

About 2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol

2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103856843) has the molecular formula C7H11BrF3NO and a molecular weight of 262.07 g/mol. Its IUPAC name is 2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103856843
Molecular FormulaC7H11BrF3NO
Molecular Weight262.07 g/mol
Exact Mass261.00
IUPAC Name2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESC=C(Br)CN(CCO)CC(F)(F)F
InChIInChI=1S/C7H11BrF3NO/c1-6(8)4-12(2-3-13)5-7(9,10)11/h13H,1-5H2
InChIKeyIDTPVEWWVABXDY-UHFFFAOYSA-N
XLogP1.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol (CID 103856843) is 2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol is C=C(Br)CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is IDTPVEWWVABXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrF3NO/c1-6(8)4-12(2-3-13)5-7(9,10)11/h13H,1-5H2.
What are the key properties of 2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 262.07 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103856843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).