N-(3-triethoxysilylpropyl)carbamoyl fluoride

C10H22FNO4Si — CID 58462767

IUPACN-(3-triethoxysilylpropyl)carbamoyl fluoride
SMILESCCO[Si](CCCNC(=O)F)(OCC)OCC
InChIInChI=1S/C10H22FNO4Si/c1-4-14-17(15-5-2,16-6-3)9-7-8-12-10(11)13/h4-9H2,1-3H3,(H,12,13)
InChIKeyUJJWDVKHQBUGCX-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.10
Rot. Bonds10

About N-(3-triethoxysilylpropyl)carbamoyl fluoride

N-(3-triethoxysilylpropyl)carbamoyl fluoride (PubChem CID 58462767) has the molecular formula C10H22FNO4Si and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-triethoxysilylpropyl)carbamoyl fluoride.

Molecular Properties

Compound NameN-(3-triethoxysilylpropyl)carbamoyl fluoride
PubChem CID58462767
Molecular FormulaC10H22FNO4Si
Molecular Weight267.37 g/mol
Exact Mass267.13
IUPAC NameN-(3-triethoxysilylpropyl)carbamoyl fluoride
SMILESCCO[Si](CCCNC(=O)F)(OCC)OCC
InChIInChI=1S/C10H22FNO4Si/c1-4-14-17(15-5-2,16-6-3)9-7-8-12-10(11)13/h4-9H2,1-3H3,(H,12,13)
InChIKeyUJJWDVKHQBUGCX-UHFFFAOYSA-N
XLogP2.10
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-triethoxysilylpropyl)carbamoyl fluoride?
The IUPAC name of N-(3-triethoxysilylpropyl)carbamoyl fluoride (CID 58462767) is N-(3-triethoxysilylpropyl)carbamoyl fluoride.
What is the SMILES notation for N-(3-triethoxysilylpropyl)carbamoyl fluoride?
The canonical SMILES for N-(3-triethoxysilylpropyl)carbamoyl fluoride is CCO[Si](CCCNC(=O)F)(OCC)OCC.
What is the InChIKey of N-(3-triethoxysilylpropyl)carbamoyl fluoride?
The InChIKey is UJJWDVKHQBUGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO4Si/c1-4-14-17(15-5-2,16-6-3)9-7-8-12-10(11)13/h4-9H2,1-3H3,(H,12,13).
What are the key properties of N-(3-triethoxysilylpropyl)carbamoyl fluoride?
N-(3-triethoxysilylpropyl)carbamoyl fluoride has a molecular weight of 267.37 g/mol, XLogP of 2.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-triethoxysilylpropyl)carbamoyl fluoride is sourced from PubChem (CID 58462767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).