1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea

C11H11F3N2O2 — CID 113321934

IUPAC1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1ccc(F)c(F)c1F)NC1CCOC1
InChIInChI=1S/C11H11F3N2O2/c12-7-1-2-8(10(14)9(7)13)16-11(17)15-6-3-4-18-5-6/h1-2,6H,3-5H2,(H2,15,16,17)
InChIKeyMRERLOORGOYKIX-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.01
Rot. Bonds2

About 1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea

1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 113321934) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID113321934
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1ccc(F)c(F)c1F)NC1CCOC1
InChIInChI=1S/C11H11F3N2O2/c12-7-1-2-8(10(14)9(7)13)16-11(17)15-6-3-4-18-5-6/h1-2,6H,3-5H2,(H2,15,16,17)
InChIKeyMRERLOORGOYKIX-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea 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

1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 113322039
1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea
CID 47133044
1-(2,3-dimethylphenyl)-3-(oxolan-3-yl)urea
CID 115758902
1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea
CID 75948763
2-fluoro-4-(oxolan-3-ylcarbamoylamino)benzoic acid
CID 107793067
1-(3-chloro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 115758945
4,5-difluoro-2-(oxan-3-ylcarbamoylamino)benzoic acid
CID 63361376
1-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-3-(oxolan-3-yl)urea
CID 104781003
1-(oxolan-3-yl)-3-quinolin-8-ylurea
CID 115759047
1-(2-methoxy-4-nitrophenyl)-3-(oxolan-3-yl)urea
CID 116655695
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-isoquinolin-8-yl-3-(oxolan-3-yl)urea
CID 115759515

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea (CID 113321934) is 1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea is O=C(Nc1ccc(F)c(F)c1F)NC1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is MRERLOORGOYKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-7-1-2-8(10(14)9(7)13)16-11(17)15-6-3-4-18-5-6/h1-2,6H,3-5H2,(H2,15,16,17).
What are the key properties of 1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea?
1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 260.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 113321934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).