1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea

C11H12F2N2O — CID 108909916

IUPAC1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H12F2N2O/c1-7(2)6-14-11(16)15-10-8(12)4-3-5-9(10)13/h3-6H,1-2H3,(H2,14,15,16)
InChIKeySPDVDCUTDBZTKT-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.01
Rot. Bonds2

About 1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea

1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909916) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909916
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H12F2N2O/c1-7(2)6-14-11(16)15-10-8(12)4-3-5-9(10)13/h3-6H,1-2H3,(H2,14,15,16)
InChIKeySPDVDCUTDBZTKT-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108910047
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,6-difluorophenyl)urea
CID 108913961
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide
CID 108909956
1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108910070
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850
1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108909779
(E)-4-(2,6-difluoroanilino)-3-methyl-4-oxobut-2-enoic acid
CID 82335518
4-[(2,6-difluorophenyl)carbamoylamino]benzoic acid
CID 61196504
(2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid
CID 54991149

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea (CID 108909916) is 1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea is CC(C)=CNC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is SPDVDCUTDBZTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-7(2)6-14-11(16)15-10-8(12)4-3-5-9(10)13/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea?
1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 226.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).