1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea

C13H23F3N2O2 — CID 71990553

IUPAC1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea
SMILESCC1CCCCC1OCCNC(=O)NCCC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-10-4-2-3-5-11(10)20-9-8-18-12(19)17-7-6-13(14,15)16/h10-11H,2-9H2,1H3,(H2,17,18,19)
InChIKeyGWTNZMYENSYKTI-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea

1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea (PubChem CID 71990553) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea
PubChem CID71990553
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea
SMILESCC1CCCCC1OCCNC(=O)NCCC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-10-4-2-3-5-11(10)20-9-8-18-12(19)17-7-6-13(14,15)16/h10-11H,2-9H2,1H3,(H2,17,18,19)
InChIKeyGWTNZMYENSYKTI-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea (CID 71990553) is 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea is CC1CCCCC1OCCNC(=O)NCCC(F)(F)F.
What is the InChIKey of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea?
The InChIKey is GWTNZMYENSYKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-10-4-2-3-5-11(10)20-9-8-18-12(19)17-7-6-13(14,15)16/h10-11H,2-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea?
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea has a molecular weight of 296.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylcyclohexyl)oxyethyl]-3-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 71990553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).