3-trifluorosilylpropylurea

C4H9F3N2OSi — CID 174136032

IUPAC3-trifluorosilylpropylurea
SMILESNC(=O)NCCC[Si](F)(F)F
InChIInChI=1S/C4H9F3N2OSi/c5-11(6,7)3-1-2-9-4(8)10/h1-3H2,(H3,8,9,10)
InChIKeyCELDOKREBBQWLG-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.89
Rot. Bonds4

About 3-trifluorosilylpropylurea

3-trifluorosilylpropylurea (PubChem CID 174136032) has the molecular formula C4H9F3N2OSi and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-trifluorosilylpropylurea.

Molecular Properties

Compound Name3-trifluorosilylpropylurea
PubChem CID174136032
Molecular FormulaC4H9F3N2OSi
Molecular Weight186.21 g/mol
Exact Mass186.04
IUPAC Name3-trifluorosilylpropylurea
SMILESNC(=O)NCCC[Si](F)(F)F
InChIInChI=1S/C4H9F3N2OSi/c5-11(6,7)3-1-2-9-4(8)10/h1-3H2,(H3,8,9,10)
InChIKeyCELDOKREBBQWLG-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-trifluorosilylpropylurea 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

3-chloropropylurea
CID 6421120
6-trimethoxysilylhexylurea
CID 87148927
butylurea;silicic acid
CID 86735760
3-[[4-(carbamoylamino)butyl-dimethylsilyl]oxy-dimethylsilyl]propylurea
CID 59079127
5-(carbamoylamino)pentanamide;hydrochloride
CID 175794567
12-hydroxydodecylurea
CID 57265418
silane;3-triethoxysilylpropylurea
CID 161180470
pentylurea;hydrate
CID 172845599
3-methoxypropylurea
CID 2064040
(5-chloro-4-oxopentyl)urea
CID 87337319
3-cyanopropylurea
CID 62667023
5-(carbamoylamino)-2-oxopentanoic acid
CID 13154348

Frequently Asked Questions

What is the IUPAC name of 3-trifluorosilylpropylurea?
The IUPAC name of 3-trifluorosilylpropylurea (CID 174136032) is 3-trifluorosilylpropylurea.
What is the SMILES notation for 3-trifluorosilylpropylurea?
The canonical SMILES for 3-trifluorosilylpropylurea is NC(=O)NCCC[Si](F)(F)F.
What is the InChIKey of 3-trifluorosilylpropylurea?
The InChIKey is CELDOKREBBQWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2OSi/c5-11(6,7)3-1-2-9-4(8)10/h1-3H2,(H3,8,9,10).
What are the key properties of 3-trifluorosilylpropylurea?
3-trifluorosilylpropylurea has a molecular weight of 186.21 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trifluorosilylpropylurea is sourced from PubChem (CID 174136032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).