1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea

C8H15F3N2O3 — CID 110896384

IUPAC1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCOCC(O)CN(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c1-13(3-6(14)4-16-2)7(15)12-5-8(9,10)11/h6,14H,3-5H2,1-2H3,(H,12,15)
InChIKeyBPKFGPZDTGFIFX-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.20
Rot. Bonds5

About 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea

1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 110896384) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID110896384
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCOCC(O)CN(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O3/c1-13(3-6(14)4-16-2)7(15)12-5-8(9,10)11/h6,14H,3-5H2,1-2H3,(H,12,15)
InChIKeyBPKFGPZDTGFIFX-UHFFFAOYSA-N
XLogP0.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea (CID 110896384) is 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea is COCC(O)CN(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is BPKFGPZDTGFIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3/c1-13(3-6(14)4-16-2)7(15)12-5-8(9,10)11/h6,14H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 244.21 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 110896384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).