[(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea

C11H11F3N2O3 — CID 68988557

IUPAC[(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea
SMILESNC(=O)N[C@@H]1CCOc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)19-8-3-1-2-6-7(16-10(15)17)4-5-18-9(6)8/h1-3,7H,4-5H2,(H3,15,16,17)/t7-/m1/s1
InChIKeyUREITABJDDCLQD-SSDOTTSWSA-N
MW276.21 g/mol
LogP2.08
Rot. Bonds2

About [(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea

[(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea (PubChem CID 68988557) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is [(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea.

Molecular Properties

Compound Name[(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea
PubChem CID68988557
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name[(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea
SMILESNC(=O)N[C@@H]1CCOc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)19-8-3-1-2-6-7(16-10(15)17)4-5-18-9(6)8/h1-3,7H,4-5H2,(H3,15,16,17)/t7-/m1/s1
InChIKeyUREITABJDDCLQD-SSDOTTSWSA-N
XLogP2.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea?
The IUPAC name of [(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea (CID 68988557) is [(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea.
What is the SMILES notation for [(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea?
The canonical SMILES for [(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea is NC(=O)N[C@@H]1CCOc2c(OC(F)(F)F)cccc21.
What is the InChIKey of [(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea?
The InChIKey is UREITABJDDCLQD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)19-8-3-1-2-6-7(16-10(15)17)4-5-18-9(6)8/h1-3,7H,4-5H2,(H3,15,16,17)/t7-/m1/s1.
What are the key properties of [(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea?
[(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea has a molecular weight of 276.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-8-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea is sourced from PubChem (CID 68988557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).