1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea

C9H15F3N2O2 — CID 103853132

IUPAC1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESC=CCCOCCNC(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-2-3-5-16-6-4-13-8(15)14-7-9(10,11)12/h2H,1,3-7H2,(H2,13,14,15)
InChIKeyYLUQEEUWGPORSB-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.44
Rot. Bonds7

About 1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 103853132) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID103853132
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESC=CCCOCCNC(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-2-3-5-16-6-4-13-8(15)14-7-9(10,11)12/h2H,1,3-7H2,(H2,13,14,15)
InChIKeyYLUQEEUWGPORSB-UHFFFAOYSA-N
XLogP1.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea (CID 103853132) is 1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea is C=CCCOCCNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is YLUQEEUWGPORSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-2-3-5-16-6-4-13-8(15)14-7-9(10,11)12/h2H,1,3-7H2,(H2,13,14,15).
What are the key properties of 1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 240.22 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 103853132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).