1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea

C5H9F3N4O2 — CID 104858935

IUPAC1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESNC(CNC(=O)NCC(F)(F)F)=NO
InChIInChI=1S/C5H9F3N4O2/c6-5(7,8)2-11-4(13)10-1-3(9)12-14/h14H,1-2H2,(H2,9,12)(H2,10,11,13)
InChIKeyBDZABWZQDQIHCC-UHFFFAOYSA-N
MW214.15 g/mol
LogP-0.41
Rot. Bonds3

About 1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 104858935) has the molecular formula C5H9F3N4O2 and a molecular weight of 214.15 g/mol. Its IUPAC name is 1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID104858935
Molecular FormulaC5H9F3N4O2
Molecular Weight214.15 g/mol
Exact Mass214.07
IUPAC Name1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea
SMILESNC(CNC(=O)NCC(F)(F)F)=NO
InChIInChI=1S/C5H9F3N4O2/c6-5(7,8)2-11-4(13)10-1-3(9)12-14/h14H,1-2H2,(H2,9,12)(H2,10,11,13)
InChIKeyBDZABWZQDQIHCC-UHFFFAOYSA-N
XLogP-0.41
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Amino-1-hydroxyiminopropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 104858929
1-(1-Amino-1-hydroxyiminobutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 104858930
1-(1-Amino-1-hydroxyimino-2-methylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 104858932
1-(2-Amino-2-hydroxyiminoethyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 104858946
1-(2-Amino-2-hydroxyiminoethyl)-1-ethyl-3-(2,2,2-trifluoroethyl)urea
CID 104858947
1-(2-Amino-2-hydroxyiminoethyl)-1-propyl-3-(2,2,2-trifluoroethyl)urea
CID 104858948
1-(1-Amino-1-hydroxyiminopropan-2-yl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 104858949
1-(4-Amino-4-hydroxyiminobutyl)-3-(2,2,2-trifluoroethyl)urea
CID 104858951
1-(3-Amino-3-hydroxyiminopropyl)-3-(2,2,2-trifluoroethyl)urea
CID 104858952
4-(2-amino-2-hydroxyiminoethyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 104858957
1-(2-Amino-2-hydroxyiminoethyl)-1-propan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 113463059
1-(2-Amino-2-iminoethyl)-3-(2,2,2-trifluoroethyl)urea
CID 116013643

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea (CID 104858935) is 1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea is NC(CNC(=O)NCC(F)(F)F)=NO.
What is the InChIKey of 1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is BDZABWZQDQIHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N4O2/c6-5(7,8)2-11-4(13)10-1-3(9)12-14/h14H,1-2H2,(H2,9,12)(H2,10,11,13).
What are the key properties of 1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 214.15 g/mol, XLogP of -0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-hydroxyiminoethyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 104858935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).