1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea

C9H15F3N2O2 — CID 112699973

IUPAC1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea
SMILESO=C(NOCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-14-8(15)13-7-4-2-1-3-5-7/h7H,1-6H2,(H2,13,14,15)
InChIKeyYROGYCJAADPXGK-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.11
Rot. Bonds3

About 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea

1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea (PubChem CID 112699973) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea
PubChem CID112699973
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea
SMILESO=C(NOCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-14-8(15)13-7-4-2-1-3-5-7/h7H,1-6H2,(H2,13,14,15)
InChIKeyYROGYCJAADPXGK-UHFFFAOYSA-N
XLogP2.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea?
The IUPAC name of 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea (CID 112699973) is 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea is O=C(NOCC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea?
The InChIKey is YROGYCJAADPXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-14-8(15)13-7-4-2-1-3-5-7/h7H,1-6H2,(H2,13,14,15).
What are the key properties of 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea?
1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea has a molecular weight of 240.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,2,2-trifluoroethoxy)urea is sourced from PubChem (CID 112699973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).