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

C9H17F3N2O2 — CID 107479095

IUPAC1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCN(CC)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-3-13(4-2)8(16)14(5-6-15)7-9(10,11)12/h15H,3-7H2,1-2H3
InChIKeyJKAXHVYEMXZXNO-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.30
Rot. Bonds5

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

1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 107479095) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID107479095
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCCN(CC)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-3-13(4-2)8(16)14(5-6-15)7-9(10,11)12/h15H,3-7H2,1-2H3
InChIKeyJKAXHVYEMXZXNO-UHFFFAOYSA-N
XLogP1.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea (CID 107479095) is 1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea is CCN(CC)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is JKAXHVYEMXZXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-3-13(4-2)8(16)14(5-6-15)7-9(10,11)12/h15H,3-7H2,1-2H3.
What are the key properties of 1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea?
1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 242.24 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 107479095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).