(E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine

C11H12F3N — CID 115028992

IUPAC(E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine
SMILESCc1ccc(/C=C(\CN)C(F)(F)F)cc1
InChIInChI=1S/C11H12F3N/c1-8-2-4-9(5-3-8)6-10(7-15)11(12,13)14/h2-6H,7,15H2,1H3/b10-6+
InChIKeyYYUTUUHOBGGQSL-UXBLZVDNSA-N
MW215.22 g/mol
LogP2.90
Rot. Bonds2

About (E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine

(E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine (PubChem CID 115028992) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine
PubChem CID115028992
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name(E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine
SMILESCc1ccc(/C=C(\CN)C(F)(F)F)cc1
InChIInChI=1S/C11H12F3N/c1-8-2-4-9(5-3-8)6-10(7-15)11(12,13)14/h2-6H,7,15H2,1H3/b10-6+
InChIKeyYYUTUUHOBGGQSL-UXBLZVDNSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine (CID 115028992) is (E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine is Cc1ccc(/C=C(\CN)C(F)(F)F)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine?
The InChIKey is YYUTUUHOBGGQSL-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H12F3N/c1-8-2-4-9(5-3-8)6-10(7-15)11(12,13)14/h2-6H,7,15H2,1H3/b10-6+.
What are the key properties of (E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine?
(E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine has a molecular weight of 215.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-2-(trifluoromethyl)prop-2-en-1-amine is sourced from PubChem (CID 115028992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).