1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea

C12H14F2N2O — CID 25051271

IUPAC1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NC1CCc2ccc(F)cc21
InChIInChI=1S/C12H14F2N2O/c13-5-6-15-12(17)16-11-4-2-8-1-3-9(14)7-10(8)11/h1,3,7,11H,2,4-6H2,(H2,15,16,17)
InChIKeyCSWOXEYFVCEXHI-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.08
Rot. Bonds3

About 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea

1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea (PubChem CID 25051271) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
PubChem CID25051271
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NC1CCc2ccc(F)cc21
InChIInChI=1S/C12H14F2N2O/c13-5-6-15-12(17)16-11-4-2-8-1-3-9(14)7-10(8)11/h1,3,7,11H,2,4-6H2,(H2,15,16,17)
InChIKeyCSWOXEYFVCEXHI-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The IUPAC name of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea (CID 25051271) is 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea is O=C(NCCF)NC1CCc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
The InChIKey is CSWOXEYFVCEXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-5-6-15-12(17)16-11-4-2-8-1-3-9(14)7-10(8)11/h1,3,7,11H,2,4-6H2,(H2,15,16,17).
What are the key properties of 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea?
1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea has a molecular weight of 240.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25051271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).