(E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine

C16H16FNO2 — CID 42624190

IUPAC(E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine
SMILESNC/C=C(/F)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16FNO2/c17-13(10-11-18)12-19-14-6-8-16(9-7-14)20-15-4-2-1-3-5-15/h1-10H,11-12,18H2/b13-10+
InChIKeyZKECKENZSFOAKR-JLHYYAGUSA-N
MW273.31 g/mol
LogP3.67
Rot. Bonds6

About (E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine

(E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine (PubChem CID 42624190) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine
PubChem CID42624190
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine
SMILESNC/C=C(/F)COc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16FNO2/c17-13(10-11-18)12-19-14-6-8-16(9-7-14)20-15-4-2-1-3-5-15/h1-10H,11-12,18H2/b13-10+
InChIKeyZKECKENZSFOAKR-JLHYYAGUSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-3-fluoro-4-(4-phenoxyphenoxy)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-phenoxyphenoxy)but-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine (CID 42624190) is (E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine is NC/C=C(/F)COc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine?
The InChIKey is ZKECKENZSFOAKR-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-13(10-11-18)12-19-14-6-8-16(9-7-14)20-15-4-2-1-3-5-15/h1-10H,11-12,18H2/b13-10+.
What are the key properties of (E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine?
(E)-3-fluoro-4-(4-phenoxyphenoxy)but-2-en-1-amine has a molecular weight of 273.31 g/mol, XLogP of 3.67, 6 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-phenoxyphenoxy)but-2-en-1-amine is sourced from PubChem (CID 42624190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).