(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine

C13H15F4N — CID 103092888

IUPAC(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F4N/c1-8(9(2)18-3)6-10-4-5-12(14)11(7-10)13(15,16)17/h4-7,9,18H,1-3H3/b8-6+
InChIKeyJKGCTGRZYNIACA-SOFGYWHQSA-N
MW261.26 g/mol
LogP3.86
Rot. Bonds3

About (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine

(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine (PubChem CID 103092888) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine
PubChem CID103092888
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F4N/c1-8(9(2)18-3)6-10-4-5-12(14)11(7-10)13(15,16)17/h4-7,9,18H,1-3H3/b8-6+
InChIKeyJKGCTGRZYNIACA-SOFGYWHQSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine (CID 103092888) is (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine is CNC(C)/C(C)=C/c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine?
The InChIKey is JKGCTGRZYNIACA-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H15F4N/c1-8(9(2)18-3)6-10-4-5-12(14)11(7-10)13(15,16)17/h4-7,9,18H,1-3H3/b8-6+.
What are the key properties of (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine?
(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine has a molecular weight of 261.26 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 103092888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).