1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea

C14H7F7N2O — CID 88680967

IUPAC1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cc(F)cc(C(F)(F)F)c1F)Nc1c(F)cccc1F
InChIInChI=1S/C14H7F7N2O/c15-6-4-7(14(19,20)21)11(18)10(5-6)22-13(24)23-12-8(16)2-1-3-9(12)17/h1-5H,(H2,22,23,24)
InChIKeyXXDYWFHLKSJSHZ-UHFFFAOYSA-N
MW352.21 g/mol
LogP4.91
Rot. Bonds2

About 1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea

1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea (PubChem CID 88680967) has the molecular formula C14H7F7N2O and a molecular weight of 352.21 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea
PubChem CID88680967
Molecular FormulaC14H7F7N2O
Molecular Weight352.21 g/mol
Exact Mass352.04
IUPAC Name1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cc(F)cc(C(F)(F)F)c1F)Nc1c(F)cccc1F
InChIInChI=1S/C14H7F7N2O/c15-6-4-7(14(19,20)21)11(18)10(5-6)22-13(24)23-12-8(16)2-1-3-9(12)17/h1-5H,(H2,22,23,24)
InChIKeyXXDYWFHLKSJSHZ-UHFFFAOYSA-N
XLogP4.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea (CID 88680967) is 1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea is O=C(Nc1cc(F)cc(C(F)(F)F)c1F)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea?
The InChIKey is XXDYWFHLKSJSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7N2O/c15-6-4-7(14(19,20)21)11(18)10(5-6)22-13(24)23-12-8(16)2-1-3-9(12)17/h1-5H,(H2,22,23,24).
What are the key properties of 1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea?
1-(2,6-difluorophenyl)-3-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea has a molecular weight of 352.21 g/mol, XLogP of 4.91, 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-[2,5-difluoro-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 88680967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).