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

C7H13F3N2O3 — CID 111425496

IUPAC1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCOCC(O)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3/c1-15-3-5(13)2-11-6(14)12-4-7(8,9)10/h5,13H,2-4H2,1H3,(H2,11,12,14)
InChIKeyFMEFCTPEDJUPKE-UHFFFAOYSA-N
MW230.19 g/mol
LogP-0.14
Rot. Bonds5

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

1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 111425496) has the molecular formula C7H13F3N2O3 and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID111425496
Molecular FormulaC7H13F3N2O3
Molecular Weight230.19 g/mol
Exact Mass230.09
IUPAC Name1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCOCC(O)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3/c1-15-3-5(13)2-11-6(14)12-4-7(8,9)10/h5,13H,2-4H2,1H3,(H2,11,12,14)
InChIKeyFMEFCTPEDJUPKE-UHFFFAOYSA-N
XLogP-0.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea (CID 111425496) is 1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea is COCC(O)CNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is FMEFCTPEDJUPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3/c1-15-3-5(13)2-11-6(14)12-4-7(8,9)10/h5,13H,2-4H2,1H3,(H2,11,12,14).
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 230.19 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 111425496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).