1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea

C11H19F3N2O — CID 115758221

IUPAC1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea
SMILESO=C(NCCCCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)7-3-4-8-15-10(17)16-9-5-1-2-6-9/h9H,1-8H2,(H2,15,16,17)
InChIKeyQWXLKZFOERGUKR-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.96
Rot. Bonds5

About 1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea

1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea (PubChem CID 115758221) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea
PubChem CID115758221
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea
SMILESO=C(NCCCCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)7-3-4-8-15-10(17)16-9-5-1-2-6-9/h9H,1-8H2,(H2,15,16,17)
InChIKeyQWXLKZFOERGUKR-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea?
The IUPAC name of 1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea (CID 115758221) is 1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea is O=C(NCCCCC(F)(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea?
The InChIKey is QWXLKZFOERGUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)7-3-4-8-15-10(17)16-9-5-1-2-6-9/h9H,1-8H2,(H2,15,16,17).
What are the key properties of 1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea?
1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea has a molecular weight of 252.28 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(5,5,5-trifluoropentyl)urea is sourced from PubChem (CID 115758221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).