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

C8H15F3N2O3 — CID 111112684

IUPAC1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CCO)CCCO
InChIInChI=1S/C8H15F3N2O3/c9-8(10,11)6-12-7(16)13(3-5-15)2-1-4-14/h14-15H,1-6H2,(H,12,16)
InChIKeyZEMKHKAOQRGPBJ-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.06
Rot. Bonds6

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

1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 111112684) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID111112684
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Name1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)N(CCO)CCCO
InChIInChI=1S/C8H15F3N2O3/c9-8(10,11)6-12-7(16)13(3-5-15)2-1-4-14/h14-15H,1-6H2,(H,12,16)
InChIKeyZEMKHKAOQRGPBJ-UHFFFAOYSA-N
XLogP-0.06
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea (CID 111112684) is 1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)N(CCO)CCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is ZEMKHKAOQRGPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3/c9-8(10,11)6-12-7(16)13(3-5-15)2-1-4-14/h14-15H,1-6H2,(H,12,16).
What are the key properties of 1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 244.21 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-(3-hydroxypropyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 111112684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).