[(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea

C12H17FN2O2 — CID 118365136

IUPAC[(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea
SMILESCOC(C)(C)[C@@H](NC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-12(2,17-3)10(15-11(14)16)8-4-6-9(13)7-5-8/h4-7,10H,1-3H3,(H3,14,15,16)/t10-/m0/s1
InChIKeyRHOLXZVNDHWSEI-JTQLQIEISA-N
MW240.28 g/mol
LogP1.96
Rot. Bonds4

About [(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea

[(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea (PubChem CID 118365136) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea
PubChem CID118365136
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea
SMILESCOC(C)(C)[C@@H](NC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-12(2,17-3)10(15-11(14)16)8-4-6-9(13)7-5-8/h4-7,10H,1-3H3,(H3,14,15,16)/t10-/m0/s1
InChIKeyRHOLXZVNDHWSEI-JTQLQIEISA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea?
The IUPAC name of [(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea (CID 118365136) is [(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea is COC(C)(C)[C@@H](NC(N)=O)c1ccc(F)cc1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea?
The InChIKey is RHOLXZVNDHWSEI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-12(2,17-3)10(15-11(14)16)8-4-6-9(13)7-5-8/h4-7,10H,1-3H3,(H3,14,15,16)/t10-/m0/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea?
[(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea has a molecular weight of 240.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)-2-methoxy-2-methylpropyl]urea is sourced from PubChem (CID 118365136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).