(Z)-3-fluoro-4-phenoxybut-2-en-1-amine

C10H12FNO — CID 42624187

IUPAC(Z)-3-fluoro-4-phenoxybut-2-en-1-amine
SMILESNC/C=C(\F)COc1ccccc1
InChIInChI=1S/C10H12FNO/c11-9(6-7-12)8-13-10-4-2-1-3-5-10/h1-6H,7-8,12H2/b9-6-
InChIKeyQSDFWTFBQMZVBH-TWGQIWQCSA-N
MW181.21 g/mol
LogP1.88
Rot. Bonds4

About (Z)-3-fluoro-4-phenoxybut-2-en-1-amine

(Z)-3-fluoro-4-phenoxybut-2-en-1-amine (PubChem CID 42624187) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (Z)-3-fluoro-4-phenoxybut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-phenoxybut-2-en-1-amine
PubChem CID42624187
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(Z)-3-fluoro-4-phenoxybut-2-en-1-amine
SMILESNC/C=C(\F)COc1ccccc1
InChIInChI=1S/C10H12FNO/c11-9(6-7-12)8-13-10-4-2-1-3-5-10/h1-6H,7-8,12H2/b9-6-
InChIKeyQSDFWTFBQMZVBH-TWGQIWQCSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-3-fluoro-4-phenoxybut-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 (Z)-3-fluoro-4-phenoxybut-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-4-phenoxybut-2-en-1-amine (CID 42624187) is (Z)-3-fluoro-4-phenoxybut-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-4-phenoxybut-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-4-phenoxybut-2-en-1-amine is NC/C=C(\F)COc1ccccc1.
What is the InChIKey of (Z)-3-fluoro-4-phenoxybut-2-en-1-amine?
The InChIKey is QSDFWTFBQMZVBH-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9(6-7-12)8-13-10-4-2-1-3-5-10/h1-6H,7-8,12H2/b9-6-.
What are the key properties of (Z)-3-fluoro-4-phenoxybut-2-en-1-amine?
(Z)-3-fluoro-4-phenoxybut-2-en-1-amine has a molecular weight of 181.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-phenoxybut-2-en-1-amine is sourced from PubChem (CID 42624187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).