1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea

C10H15F3N2O — CID 106211165

IUPAC1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea
SMILESO=C(NC1CCCC1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)9(5-6-9)15-8(16)14-7-3-1-2-4-7/h7H,1-6H2,(H2,14,15,16)
InChIKeyLTGRXXOEKNRMQW-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.32
Rot. Bonds2

About 1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea

1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea (PubChem CID 106211165) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea
PubChem CID106211165
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea
SMILESO=C(NC1CCCC1)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)9(5-6-9)15-8(16)14-7-3-1-2-4-7/h7H,1-6H2,(H2,14,15,16)
InChIKeyLTGRXXOEKNRMQW-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]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-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea?
The IUPAC name of 1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea (CID 106211165) is 1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea is O=C(NC1CCCC1)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea?
The InChIKey is LTGRXXOEKNRMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)9(5-6-9)15-8(16)14-7-3-1-2-4-7/h7H,1-6H2,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea?
1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea has a molecular weight of 236.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(trifluoromethyl)cyclopropyl]urea is sourced from PubChem (CID 106211165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).