1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea

C11H14F2N2O3 — CID 70985257

IUPAC1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea
SMILESCC(CO)(CO)NC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H14F2N2O3/c1-11(5-16,6-17)15-10(18)14-9-7(12)3-2-4-8(9)13/h2-4,16-17H,5-6H2,1H3,(H2,14,15,18)
InChIKeyZEJHBVDJIOEFRL-UHFFFAOYSA-N
MW260.24 g/mol
LogP0.83
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea

1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea (PubChem CID 70985257) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea
PubChem CID70985257
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea
SMILESCC(CO)(CO)NC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H14F2N2O3/c1-11(5-16,6-17)15-10(18)14-9-7(12)3-2-4-8(9)13/h2-4,16-17H,5-6H2,1H3,(H2,14,15,18)
InChIKeyZEJHBVDJIOEFRL-UHFFFAOYSA-N
XLogP0.83
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111926195
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
2-bromo-N-(2,6-difluorophenyl)-2-methylpropanamide
CID 82110411
3-amino-N-(2,6-difluorophenyl)-3-methylbutanamide
CID 64684364
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249
2-(2-fluoro-6-nitroanilino)-2-methylpropane-1,3-diol
CID 112740614
N-(2,6-difluorophenyl)-2,2-dimethylpropanamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158193392
(2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid
CID 54991149
1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216737
4-(2,6-difluoroanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43529777
1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108909916

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea (CID 70985257) is 1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea is CC(CO)(CO)NC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea?
The InChIKey is ZEJHBVDJIOEFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-11(5-16,6-17)15-10(18)14-9-7(12)3-2-4-8(9)13/h2-4,16-17H,5-6H2,1H3,(H2,14,15,18).
What are the key properties of 1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea?
1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea has a molecular weight of 260.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 70985257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).