1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

C11H15FN2O2 — CID 25051937

IUPAC1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESO=C(NCCF)NC1CCCc2occc21
InChIInChI=1S/C11H15FN2O2/c12-5-6-13-11(15)14-9-2-1-3-10-8(9)4-7-16-10/h4,7,9H,1-3,5-6H2,(H2,13,14,15)
InChIKeyLQMFAWZZCVBZNC-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.93
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (PubChem CID 25051937) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
PubChem CID25051937
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESO=C(NCCF)NC1CCCc2occc21
InChIInChI=1S/C11H15FN2O2/c12-5-6-13-11(15)14-9-2-1-3-10-8(9)4-7-16-10/h4,7,9H,1-3,5-6H2,(H2,13,14,15)
InChIKeyLQMFAWZZCVBZNC-UHFFFAOYSA-N
XLogP1.93
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea 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 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (CID 25051937) is 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is O=C(NCCF)NC1CCCc2occc21.
What is the InChIKey of 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The InChIKey is LQMFAWZZCVBZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c12-5-6-13-11(15)14-9-2-1-3-10-8(9)4-7-16-10/h4,7,9H,1-3,5-6H2,(H2,13,14,15).
What are the key properties of 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea has a molecular weight of 226.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is sourced from PubChem (CID 25051937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).