1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea

C9H15F3N2O2 — CID 102675478

IUPAC1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CCO)C1CCC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)14(4-5-15)7-2-1-3-7/h7,15H,1-6H2,(H,13,16)
InChIKeyAMUBEUHADHBTNW-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.11
Rot. Bonds4

About 1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea

1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 102675478) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID102675478
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CCO)C1CCC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)14(4-5-15)7-2-1-3-7/h7,15H,1-6H2,(H,13,16)
InChIKeyAMUBEUHADHBTNW-UHFFFAOYSA-N
XLogP1.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea (CID 102675478) is 1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)N(CCO)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is AMUBEUHADHBTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-8(16)14(4-5-15)7-2-1-3-7/h7,15H,1-6H2,(H,13,16).
What are the key properties of 1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 240.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 102675478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).