1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea

C13H19FN2O2 — CID 89139729

IUPAC1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea
SMILESCOC1=CC2CCC(NC(=O)NCCF)C2C=C1
InChIInChI=1S/C13H19FN2O2/c1-18-10-3-4-11-9(8-10)2-5-12(11)16-13(17)15-7-6-14/h3-4,8-9,11-12H,2,5-7H2,1H3,(H2,15,16,17)
InChIKeyDBMWWKRTATUFHU-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.75
Rot. Bonds4

About 1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea

1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea (PubChem CID 89139729) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea
PubChem CID89139729
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea
SMILESCOC1=CC2CCC(NC(=O)NCCF)C2C=C1
InChIInChI=1S/C13H19FN2O2/c1-18-10-3-4-11-9(8-10)2-5-12(11)16-13(17)15-7-6-14/h3-4,8-9,11-12H,2,5-7H2,1H3,(H2,15,16,17)
InChIKeyDBMWWKRTATUFHU-UHFFFAOYSA-N
XLogP1.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-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-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea (CID 89139729) is 1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea is COC1=CC2CCC(NC(=O)NCCF)C2C=C1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea?
The InChIKey is DBMWWKRTATUFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-18-10-3-4-11-9(8-10)2-5-12(11)16-13(17)15-7-6-14/h3-4,8-9,11-12H,2,5-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea?
1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea has a molecular weight of 254.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea is sourced from PubChem (CID 89139729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).