1,3-bis(2,4,6-trifluorophenyl)urea

C13H6F6N2O — CID 11716736

IUPAC1,3-bis(2,4,6-trifluorophenyl)urea
SMILESO=C(Nc1c(F)cc(F)cc1F)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C13H6F6N2O/c14-5-1-7(16)11(8(17)2-5)20-13(22)21-12-9(18)3-6(15)4-10(12)19/h1-4H,(H2,20,21,22)
InChIKeyDXDUYGJVJRJRMB-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.17
Rot. Bonds2

About 1,3-bis(2,4,6-trifluorophenyl)urea

1,3-bis(2,4,6-trifluorophenyl)urea (PubChem CID 11716736) has the molecular formula C13H6F6N2O and a molecular weight of 320.19 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trifluorophenyl)urea.

Molecular Properties

Compound Name1,3-bis(2,4,6-trifluorophenyl)urea
PubChem CID11716736
Molecular FormulaC13H6F6N2O
Molecular Weight320.19 g/mol
Exact Mass320.04
IUPAC Name1,3-bis(2,4,6-trifluorophenyl)urea
SMILESO=C(Nc1c(F)cc(F)cc1F)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C13H6F6N2O/c14-5-1-7(16)11(8(17)2-5)20-13(22)21-12-9(18)3-6(15)4-10(12)19/h1-4H,(H2,20,21,22)
InChIKeyDXDUYGJVJRJRMB-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-N-(2,4,6-trifluorophenyl)benzamide
CID 44586466
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
methyl 2-oxo-2-(2,4,6-trifluoroanilino)acetate
CID 112617383
1-(2-amino-4,6-difluorophenyl)-3-phenylurea
CID 81311026
2-hydroxy-4-[(2,4,6-trifluorophenyl)carbamoylamino]butanoic acid
CID 107840313
ethyl 4-[(2,4,6-trifluorophenyl)carbamoylamino]benzoate
CID 59825425
1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea
CID 58862009
1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
CID 115871702
2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid
CID 83087152
N-(2,4,6-trifluorophenyl)formamide
CID 19027811
1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea
CID 143694332
1-(2,4-difluoro-6-methylphenyl)-3-ethoxyurea
CID 134178081

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trifluorophenyl)urea?
The IUPAC name of 1,3-bis(2,4,6-trifluorophenyl)urea (CID 11716736) is 1,3-bis(2,4,6-trifluorophenyl)urea.
What is the SMILES notation for 1,3-bis(2,4,6-trifluorophenyl)urea?
The canonical SMILES for 1,3-bis(2,4,6-trifluorophenyl)urea is O=C(Nc1c(F)cc(F)cc1F)Nc1c(F)cc(F)cc1F.
What is the InChIKey of 1,3-bis(2,4,6-trifluorophenyl)urea?
The InChIKey is DXDUYGJVJRJRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N2O/c14-5-1-7(16)11(8(17)2-5)20-13(22)21-12-9(18)3-6(15)4-10(12)19/h1-4H,(H2,20,21,22).
What are the key properties of 1,3-bis(2,4,6-trifluorophenyl)urea?
1,3-bis(2,4,6-trifluorophenyl)urea has a molecular weight of 320.19 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trifluorophenyl)urea is sourced from PubChem (CID 11716736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).