3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea

C11H17F3N2O — CID 116655116

IUPAC3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea
SMILESO=C(NC1CCCC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)7-16(9-5-6-9)10(17)15-8-3-1-2-4-8/h8-9H,1-7H2,(H,15,17)
InChIKeyUTUDFIFRWYMTEX-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.67
Rot. Bonds3

About 3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea

3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 116655116) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea
PubChem CID116655116
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea
SMILESO=C(NC1CCCC1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N2O/c12-11(13,14)7-16(9-5-6-9)10(17)15-8-3-1-2-4-8/h8-9H,1-7H2,(H,15,17)
InChIKeyUTUDFIFRWYMTEX-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea (CID 116655116) is 3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea is O=C(NC1CCCC1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is UTUDFIFRWYMTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c12-11(13,14)7-16(9-5-6-9)10(17)15-8-3-1-2-4-8/h8-9H,1-7H2,(H,15,17).
What are the key properties of 3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea?
3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 250.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 116655116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).