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

C11H11F4NO2 — CID 42623611

IUPAC(E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine
SMILESNC/C=C(/F)COc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F4NO2/c12-8(5-6-16)7-17-9-1-3-10(4-2-9)18-11(13,14)15/h1-5H,6-7,16H2/b8-5+
InChIKeyXYKNMIKMRJXQGN-VMPITWQZSA-N
MW265.21 g/mol
LogP2.78
Rot. Bonds5

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

(E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine (PubChem CID 42623611) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is (E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine
PubChem CID42623611
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC Name(E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine
SMILESNC/C=C(/F)COc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F4NO2/c12-8(5-6-16)7-17-9-1-3-10(4-2-9)18-11(13,14)15/h1-5H,6-7,16H2/b8-5+
InChIKeyXYKNMIKMRJXQGN-VMPITWQZSA-N
XLogP2.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine (CID 42623611) is (E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine is NC/C=C(/F)COc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine?
The InChIKey is XYKNMIKMRJXQGN-VMPITWQZSA-N. The full InChI is InChI=1S/C11H11F4NO2/c12-8(5-6-16)7-17-9-1-3-10(4-2-9)18-11(13,14)15/h1-5H,6-7,16H2/b8-5+.
What are the key properties of (E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine?
(E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine has a molecular weight of 265.21 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-4-[4-(trifluoromethoxy)phenoxy]but-2-en-1-amine is sourced from PubChem (CID 42623611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).