1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea

C9H15F3N2O — CID 115611086

IUPAC1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC1(NC(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C9H15F3N2O/c1-8(4-2-3-5-8)14-7(15)13-6-9(10,11)12/h2-6H2,1H3,(H2,13,14,15)
InChIKeyPCCAXAFSCSQQBB-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.18
Rot. Bonds2

About 1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea

1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115611086) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115611086
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCC1(NC(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C9H15F3N2O/c1-8(4-2-3-5-8)14-7(15)13-6-9(10,11)12/h2-6H2,1H3,(H2,13,14,15)
InChIKeyPCCAXAFSCSQQBB-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)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-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea (CID 115611086) is 1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea is CC1(NC(=O)NCC(F)(F)F)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is PCCAXAFSCSQQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-8(4-2-3-5-8)14-7(15)13-6-9(10,11)12/h2-6H2,1H3,(H2,13,14,15).
What are the key properties of 1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea?
1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 224.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115611086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).