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

C8H13F3N2O2 — CID 115610922

IUPAC1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(O)C1CC1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)4-13-7(15)12-3-6(14)5-1-2-5/h5-6,14H,1-4H2,(H2,12,13,15)
InChIKeyZHGDAVREWGGJTJ-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.62
Rot. Bonds4

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

1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 115610922) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID115610922
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(O)C1CC1)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)4-13-7(15)12-3-6(14)5-1-2-5/h5-6,14H,1-4H2,(H2,12,13,15)
InChIKeyZHGDAVREWGGJTJ-UHFFFAOYSA-N
XLogP0.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea (CID 115610922) is 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(O)C1CC1)NCC(F)(F)F.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ZHGDAVREWGGJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)4-13-7(15)12-3-6(14)5-1-2-5/h5-6,14H,1-4H2,(H2,12,13,15).
What are the key properties of 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 226.20 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 115610922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).