2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine

C11H12F3N — CID 10512852

IUPAC2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine
SMILESC=CC(C)(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3N/c1-3-10(2,15)8-4-6-9(7-5-8)11(12,13)14/h3-7H,1,15H2,2H3
InChIKeyUFWOGBHHUQLXAJ-UHFFFAOYSA-N
MW215.22 g/mol
LogP3.07
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine

2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine (PubChem CID 10512852) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine
PubChem CID10512852
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine
SMILESC=CC(C)(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3N/c1-3-10(2,15)8-4-6-9(7-5-8)11(12,13)14/h3-7H,1,15H2,2H3
InChIKeyUFWOGBHHUQLXAJ-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine (CID 10512852) is 2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine is C=CC(C)(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine?
The InChIKey is UFWOGBHHUQLXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c1-3-10(2,15)8-4-6-9(7-5-8)11(12,13)14/h3-7H,1,15H2,2H3.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine?
2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine has a molecular weight of 215.22 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]but-3-en-2-amine is sourced from PubChem (CID 10512852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).