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

C10H11F2N — CID 15526768

IUPAC(E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine
SMILESNC(/C=C/c1ccc(F)cc1)CF
InChIInChI=1S/C10H11F2N/c11-7-10(13)6-3-8-1-4-9(12)5-2-8/h1-6,10H,7,13H2/b6-3+
InChIKeyPFRQOTAVIYZIFB-ZZXKWVIFSA-N
MW183.20 g/mol
LogP2.14
Rot. Bonds3

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

(E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine (PubChem CID 15526768) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is (E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine
PubChem CID15526768
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name(E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine
SMILESNC(/C=C/c1ccc(F)cc1)CF
InChIInChI=1S/C10H11F2N/c11-7-10(13)6-3-8-1-4-9(12)5-2-8/h1-6,10H,7,13H2/b6-3+
InChIKeyPFRQOTAVIYZIFB-ZZXKWVIFSA-N
XLogP2.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine?
The IUPAC name of (E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine (CID 15526768) is (E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine.
What is the SMILES notation for (E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine?
The canonical SMILES for (E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine is NC(/C=C/c1ccc(F)cc1)CF.
What is the InChIKey of (E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine?
The InChIKey is PFRQOTAVIYZIFB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H11F2N/c11-7-10(13)6-3-8-1-4-9(12)5-2-8/h1-6,10H,7,13H2/b6-3+.
What are the key properties of (E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine?
(E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine has a molecular weight of 183.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-4-(4-fluorophenyl)but-3-en-2-amine is sourced from PubChem (CID 15526768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).