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

C6H11F3N2O2 — CID 110906560

IUPAC1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(CCO)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-11(2-3-12)5(13)10-4-6(7,8)9/h12H,2-4H2,1H3,(H,10,13)
InChIKeyIUYKYWURXSLARM-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.18
Rot. Bonds3

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

1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea (PubChem CID 110906560) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
PubChem CID110906560
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
SMILESCN(CCO)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H11F3N2O2/c1-11(2-3-12)5(13)10-4-6(7,8)9/h12H,2-4H2,1H3,(H,10,13)
InChIKeyIUYKYWURXSLARM-UHFFFAOYSA-N
XLogP0.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea (CID 110906560) is 1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea is CN(CCO)C(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is IUYKYWURXSLARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2/c1-11(2-3-12)5(13)10-4-6(7,8)9/h12H,2-4H2,1H3,(H,10,13).
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea?
1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 200.16 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 110906560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).