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

C4H7F3N2O — CID 60892728

IUPAC1-methyl-1-(2,2,2-trifluoroethyl)urea
SMILESCN(CC(F)(F)F)C(N)=O
InChIInChI=1S/C4H7F3N2O/c1-9(3(8)10)2-4(5,6)7/h2H2,1H3,(H2,8,10)
InChIKeyAVSYKBYCZHRQOX-UHFFFAOYSA-N
MW156.11 g/mol
LogP0.56
Rot. Bonds1

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

1-methyl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 60892728) has the molecular formula C4H7F3N2O and a molecular weight of 156.11 g/mol. Its IUPAC name is 1-methyl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(2,2,2-trifluoroethyl)urea
PubChem CID60892728
Molecular FormulaC4H7F3N2O
Molecular Weight156.11 g/mol
Exact Mass156.05
IUPAC Name1-methyl-1-(2,2,2-trifluoroethyl)urea
SMILESCN(CC(F)(F)F)C(N)=O
InChIInChI=1S/C4H7F3N2O/c1-9(3(8)10)2-4(5,6)7/h2H2,1H3,(H2,8,10)
InChIKeyAVSYKBYCZHRQOX-UHFFFAOYSA-N
XLogP0.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-methyl-1-(2,2,2-trifluoroethyl)urea (CID 60892728) is 1-methyl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-methyl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-methyl-1-(2,2,2-trifluoroethyl)urea is CN(CC(F)(F)F)C(N)=O.
What is the InChIKey of 1-methyl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is AVSYKBYCZHRQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O/c1-9(3(8)10)2-4(5,6)7/h2H2,1H3,(H2,8,10).
What are the key properties of 1-methyl-1-(2,2,2-trifluoroethyl)urea?
1-methyl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 156.11 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 60892728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).