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

C10H17F3N2O — CID 78851185

IUPAC1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCC1CCCC1)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-15-9(16)14-6-5-8-3-1-2-4-8/h8H,1-7H2,(H2,14,15,16)
InChIKeyQJQDKFWKKAIIAH-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.43
Rot. Bonds4

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

1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 78851185) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID78851185
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCCC1CCCC1)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)7-15-9(16)14-6-5-8-3-1-2-4-8/h8H,1-7H2,(H2,14,15,16)
InChIKeyQJQDKFWKKAIIAH-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea (CID 78851185) is 1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCCC1CCCC1)NCC(F)(F)F.
What is the InChIKey of 1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is QJQDKFWKKAIIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)7-15-9(16)14-6-5-8-3-1-2-4-8/h8H,1-7H2,(H2,14,15,16).
What are the key properties of 1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 238.25 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 78851185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).