1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

C12H15FN2O2 — CID 25051759

IUPAC1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NCCF)NC1CCc2c(O)cccc21
InChIInChI=1S/C12H15FN2O2/c13-6-7-14-12(17)15-10-5-4-9-8(10)2-1-3-11(9)16/h1-3,10,16H,4-7H2,(H2,14,15,17)
InChIKeyOIQOPNBPBYOCFH-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.65
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 25051759) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID25051759
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NCCF)NC1CCc2c(O)cccc21
InChIInChI=1S/C12H15FN2O2/c13-6-7-14-12(17)15-10-5-4-9-8(10)2-1-3-11(9)16/h1-3,10,16H,4-7H2,(H2,14,15,17)
InChIKeyOIQOPNBPBYOCFH-UHFFFAOYSA-N
XLogP1.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (CID 25051759) is 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is O=C(NCCF)NC1CCc2c(O)cccc21.
What is the InChIKey of 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is OIQOPNBPBYOCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-6-7-14-12(17)15-10-5-4-9-8(10)2-1-3-11(9)16/h1-3,10,16H,4-7H2,(H2,14,15,17).
What are the key properties of 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 238.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 25051759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).