(E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine

C11H11F4NO — CID 42624011

IUPAC(E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine
SMILESNC/C=C(/F)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F4NO/c12-9(5-6-16)7-17-10-3-1-8(2-4-10)11(13,14)15/h1-5H,6-7,16H2/b9-5+
InChIKeyYJEMLXGENHRZMS-WEVVVXLNSA-N
MW249.21 g/mol
LogP2.90
Rot. Bonds4

About (E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine

(E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine (PubChem CID 42624011) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is (E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine
PubChem CID42624011
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name(E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine
SMILESNC/C=C(/F)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F4NO/c12-9(5-6-16)7-17-10-3-1-8(2-4-10)11(13,14)15/h1-5H,6-7,16H2/b9-5+
InChIKeyYJEMLXGENHRZMS-WEVVVXLNSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-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)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine (CID 42624011) is (E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine is NC/C=C(/F)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine?
The InChIKey is YJEMLXGENHRZMS-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H11F4NO/c12-9(5-6-16)7-17-10-3-1-8(2-4-10)11(13,14)15/h1-5H,6-7,16H2/b9-5+.
What are the key properties of (E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine?
(E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine has a molecular weight of 249.21 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-4-[4-(trifluoromethyl)phenoxy]but-2-en-1-amine is sourced from PubChem (CID 42624011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).