1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea

C9H15F3N2O — CID 103736185

IUPAC1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCCC1(CNC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-2-8(3-4-8)5-13-7(15)14-6-9(10,11)12/h2-6H2,1H3,(H2,13,14,15)
InChIKeyULESUOFUAJWUPX-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.04
Rot. Bonds4

About 1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea

1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 103736185) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID103736185
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCCC1(CNC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c1-2-8(3-4-8)5-13-7(15)14-6-9(10,11)12/h2-6H2,1H3,(H2,13,14,15)
InChIKeyULESUOFUAJWUPX-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea (CID 103736185) is 1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea is CCC1(CNC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ULESUOFUAJWUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-2-8(3-4-8)5-13-7(15)14-6-9(10,11)12/h2-6H2,1H3,(H2,13,14,15).
What are the key properties of 1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea?
1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 224.23 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 103736185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).