(E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine

C11H12F3N — CID 115028997

IUPAC(E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine
SMILESCc1ccccc1/C(=C\CN)C(F)(F)F
InChIInChI=1S/C11H12F3N/c1-8-4-2-3-5-9(8)10(6-7-15)11(12,13)14/h2-6H,7,15H2,1H3/b10-6+
InChIKeyJBNQPUXJMXCDRS-UXBLZVDNSA-N
MW215.22 g/mol
LogP2.90
Rot. Bonds2

About (E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine

(E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine (PubChem CID 115028997) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine
PubChem CID115028997
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name(E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine
SMILESCc1ccccc1/C(=C\CN)C(F)(F)F
InChIInChI=1S/C11H12F3N/c1-8-4-2-3-5-9(8)10(6-7-15)11(12,13)14/h2-6H,7,15H2,1H3/b10-6+
InChIKeyJBNQPUXJMXCDRS-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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Related Compounds

(E)-3-(2-bromophenyl)-4,4,4-trifluorobut-2-en-1-amine
CID 115051480
(Z)-1-(2-methylphenyl)prop-1-ene-1,3-diamine
CID 129268082
3-(2-methylphenyl)-3-phenylprop-2-en-1-amine
CID 131859830
4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol
CID 115029863
(Z)-1-(2-methylphenyl)prop-1-en-1-amine
CID 126678655
(E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine
CID 115041180
acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
CID 143336737
1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene
CID 54424619
2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone
CID 151955540
1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene
CID 143750255
1,1-bis(2-methylphenyl)-N-(trifluoromethyl)methanimine
CID 122210374
CID 88514850
CID 88514850

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine?
The IUPAC name of (E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine (CID 115028997) is (E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine.
What is the SMILES notation for (E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine?
The canonical SMILES for (E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine is Cc1ccccc1/C(=C\CN)C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine?
The InChIKey is JBNQPUXJMXCDRS-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H12F3N/c1-8-4-2-3-5-9(8)10(6-7-15)11(12,13)14/h2-6H,7,15H2,1H3/b10-6+.
What are the key properties of (E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine?
(E)-4,4,4-trifluoro-3-(2-methylphenyl)but-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)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine is sourced from PubChem (CID 115028997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).