1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea

C9H7Br2F3N2O — CID 107598645

IUPAC1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1c(Br)cccc1Br
InChIInChI=1S/C9H7Br2F3N2O/c10-5-2-1-3-6(11)7(5)16-8(17)15-4-9(12,13)14/h1-3H,4H2,(H2,15,16,17)
InChIKeyGUNOAKCQFAPOFY-UHFFFAOYSA-N
MW375.97 g/mol
LogP3.90
Rot. Bonds2

About 1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea

1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 107598645) has the molecular formula C9H7Br2F3N2O and a molecular weight of 375.97 g/mol. Its IUPAC name is 1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID107598645
Molecular FormulaC9H7Br2F3N2O
Molecular Weight375.97 g/mol
Exact Mass373.89
IUPAC Name1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1c(Br)cccc1Br
InChIInChI=1S/C9H7Br2F3N2O/c10-5-2-1-3-6(11)7(5)16-8(17)15-4-9(12,13)14/h1-3H,4H2,(H2,15,16,17)
InChIKeyGUNOAKCQFAPOFY-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.97
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 47449431
1-(6-bromonaphthalen-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115701817
2-(2-bromo-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 107599310
1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 114254796
1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116654301
1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584044
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
7-[(2,6-dibromophenyl)carbamoylamino]heptanoic acid
CID 107601826
3-bromo-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzoic acid
CID 79261010
2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid
CID 107601678
1-(4-iodophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47252527
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea (CID 107598645) is 1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1c(Br)cccc1Br.
What is the InChIKey of 1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GUNOAKCQFAPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2F3N2O/c10-5-2-1-3-6(11)7(5)16-8(17)15-4-9(12,13)14/h1-3H,4H2,(H2,15,16,17).
What are the key properties of 1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 375.97 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromophenyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 107598645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).