3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine

C11H11BrF3N — CID 169474659

IUPAC3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3N/c1-16-6-2-3-8-4-5-10(12)9(7-8)11(13,14)15/h2-5,7,16H,6H2,1H3
InChIKeyWCNGOBUKLOIIBO-UHFFFAOYSA-N
MW294.11 g/mol
LogP3.70
Rot. Bonds3

About 3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine

3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine (PubChem CID 169474659) has the molecular formula C11H11BrF3N and a molecular weight of 294.11 g/mol. Its IUPAC name is 3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
PubChem CID169474659
Molecular FormulaC11H11BrF3N
Molecular Weight294.11 g/mol
Exact Mass293.00
IUPAC Name3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H11BrF3N/c1-16-6-2-3-8-4-5-10(12)9(7-8)11(13,14)15/h2-5,7,16H,6H2,1H3
InChIKeyWCNGOBUKLOIIBO-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine?
The IUPAC name of 3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine (CID 169474659) is 3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine is CNCC=Cc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine?
The InChIKey is WCNGOBUKLOIIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3N/c1-16-6-2-3-8-4-5-10(12)9(7-8)11(13,14)15/h2-5,7,16H,6H2,1H3.
What are the key properties of 3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine?
3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine has a molecular weight of 294.11 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).