1-ethyl-3-[2-(trifluoromethyl)phenyl]urea

C10H11F3N2O — CID 17276900

IUPAC1-ethyl-3-[2-(trifluoromethyl)phenyl]urea
SMILESCCNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-2-14-9(16)15-8-6-4-3-5-7(8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15,16)
InChIKeyZNVROOFPOBGOAU-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.85
Rot. Bonds2

About 1-ethyl-3-[2-(trifluoromethyl)phenyl]urea

1-ethyl-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 17276900) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-ethyl-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID17276900
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name1-ethyl-3-[2-(trifluoromethyl)phenyl]urea
SMILESCCNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-2-14-9(16)15-8-6-4-3-5-7(8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15,16)
InChIKeyZNVROOFPOBGOAU-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-ethyl-3-[2-(trifluoromethyl)phenyl]urea (CID 17276900) is 1-ethyl-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(trifluoromethyl)phenyl]urea is CCNC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-ethyl-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is ZNVROOFPOBGOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-2-14-9(16)15-8-6-4-3-5-7(8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15,16).
What are the key properties of 1-ethyl-3-[2-(trifluoromethyl)phenyl]urea?
1-ethyl-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 232.20 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 17276900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).