(E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one

C13H9FO2 — CID 6007377

IUPAC(E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C13H9FO2/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-9H/b8-5+
InChIKeyUOTJEGJNRAMYKS-VMPITWQZSA-N
MW216.21 g/mol
LogP3.31
Rot. Bonds3

About (E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one

(E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one (PubChem CID 6007377) has the molecular formula C13H9FO2 and a molecular weight of 216.21 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one
PubChem CID6007377
Molecular FormulaC13H9FO2
Molecular Weight216.21 g/mol
Exact Mass216.06
IUPAC Name(E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C13H9FO2/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-9H/b8-5+
InChIKeyUOTJEGJNRAMYKS-VMPITWQZSA-N
XLogP3.31
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Acetylfuran
CID 14505
2-Benzofurancarboxaldehyde
CID 61341
2-Furyl pentyl ketone
CID 61738
2-Butyrylfuran
CID 228588
2-Pentanoylfuran
CID 231325
Phenethyl 2-furoate
CID 251531
2-Acetyl-3,5-dimethylfuran
CID 579675
2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
3-Methyl-2-(3-methylbut-2-enyl)-furan
CID 84825
1-Propanone, 1-(2-furanyl)-
CID 76662
2-Propyn-1-one, 1-(2-furanyl)-3-phenyl-
CID 200953
Acrylophenone, 3-(2-furyl)-
CID 5354164

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one (CID 6007377) is (E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccc(F)cc1)c1ccco1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one?
The InChIKey is UOTJEGJNRAMYKS-VMPITWQZSA-N. The full InChI is InChI=1S/C13H9FO2/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-9H/b8-5+.
What are the key properties of (E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one?
(E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one has a molecular weight of 216.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-1-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 6007377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).