1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea

C10H19F3N2O4 — CID 56793051

IUPAC1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea
SMILESCOCCNC(=O)N(CCO)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O4/c1-18-6-2-14-9(17)15(3-5-16)4-7-19-8-10(11,12)13/h16H,2-8H2,1H3,(H,14,17)
InChIKeySMAAYKUIYYOCFB-UHFFFAOYSA-N
MW288.27 g/mol
LogP0.22
Rot. Bonds9

About 1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea

1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea (PubChem CID 56793051) has the molecular formula C10H19F3N2O4 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea
PubChem CID56793051
Molecular FormulaC10H19F3N2O4
Molecular Weight288.27 g/mol
Exact Mass288.13
IUPAC Name1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea
SMILESCOCCNC(=O)N(CCO)CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O4/c1-18-6-2-14-9(17)15(3-5-16)4-7-19-8-10(11,12)13/h16H,2-8H2,1H3,(H,14,17)
InChIKeySMAAYKUIYYOCFB-UHFFFAOYSA-N
XLogP0.22
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-[2-(2-hydroxyethylamino)ethylperoxy]ethyl]-N-(2-methoxyethyl)acetamide
CID 154956822
3-Cyclopropyl-1-(2-hydroxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 53626079
2-[Propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
CID 63832654
2-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
CID 63833357
1-(2,2-Difluoroethyl)-1,3-bis(2-methoxyethyl)urea
CID 71879243
2-[2-Ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265881
2-[2-Butoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266364
2-[2-(2-Methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266737
2-[2-Methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
CID 79271737
1,1-Dimethyl-3-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]urea
CID 83121354
1,1-Dimethyl-3-[2-[2-(trifluoromethoxy)ethylamino]ethyl]urea
CID 83121760
1,1-Bis(2-methoxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 86811922

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea (CID 56793051) is 1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea is COCCNC(=O)N(CCO)CCOCC(F)(F)F.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea?
The InChIKey is SMAAYKUIYYOCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O4/c1-18-6-2-14-9(17)15(3-5-16)4-7-19-8-10(11,12)13/h16H,2-8H2,1H3,(H,14,17).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea?
1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea has a molecular weight of 288.27 g/mol, XLogP of 0.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-methoxyethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]urea is sourced from PubChem (CID 56793051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).