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

C10H12FNO — CID 42624010

IUPAC(E)-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-RMKNXTFCSA-N
MW181.21 g/mol
LogP1.88
Rot. Bonds4

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

(E)-3-fluoro-4-phenoxybut-2-en-1-amine (PubChem CID 42624010) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (E)-3-fluoro-4-phenoxybut-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-4-phenoxybut-2-en-1-amine
PubChem CID42624010
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(E)-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-RMKNXTFCSA-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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-4-phenoxybut-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-4-phenoxybut-2-en-1-amine (CID 42624010) is (E)-3-fluoro-4-phenoxybut-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-4-phenoxybut-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-4-phenoxybut-2-en-1-amine is NC/C=C(/F)COc1ccccc1.
What is the InChIKey of (E)-3-fluoro-4-phenoxybut-2-en-1-amine?
The InChIKey is QSDFWTFBQMZVBH-RMKNXTFCSA-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 (E)-3-fluoro-4-phenoxybut-2-en-1-amine?
(E)-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 (E)-3-fluoro-4-phenoxybut-2-en-1-amine is sourced from PubChem (CID 42624010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).