N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride

C13H20FNO4Si — CID 23561714

IUPACN-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride
SMILESCO[Si](CCCN(C(=O)F)c1ccccc1)(OC)OC
InChIInChI=1S/C13H20FNO4Si/c1-17-20(18-2,19-3)11-7-10-15(13(14)16)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyRKJIDMVEFVLPAP-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.85
Rot. Bonds8

About N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride

N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride (PubChem CID 23561714) has the molecular formula C13H20FNO4Si and a molecular weight of 301.39 g/mol. Its IUPAC name is N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride.

Molecular Properties

Compound NameN-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride
PubChem CID23561714
Molecular FormulaC13H20FNO4Si
Molecular Weight301.39 g/mol
Exact Mass301.11
IUPAC NameN-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride
SMILESCO[Si](CCCN(C(=O)F)c1ccccc1)(OC)OC
InChIInChI=1S/C13H20FNO4Si/c1-17-20(18-2,19-3)11-7-10-15(13(14)16)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyRKJIDMVEFVLPAP-UHFFFAOYSA-N
XLogP2.85
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-phenyl-N-(3-trimethoxysilylpropyl)propanamide
CID 59966866
tert-butyl N-phenyl-N-(3-trimethoxysilylpropyl)carbamate
CID 19019620
N-(2-isocyanoethyl)-N-(3-trimethoxysilylpropyl)aniline
CID 140848670
methyl N-(5-oxopentyl)-N-phenylcarbamate
CID 174518980
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
CID 14872044
methyl(3-trimethoxysilylpropyl)carbamic acid
CID 71432003
trimethylsilyl N-[3-[dimethyl(propoxy)silyl]propyl]-N-phenylcarbamate
CID 140591284
N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide
CID 115497112
methyl 6-(N-acetylanilino)hexanoate
CID 14219907
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
trimethylsilyl N-[3-[butan-2-yloxy(dimethyl)silyl]propyl]-N-phenylcarbamate
CID 140591241

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride?
The IUPAC name of N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride (CID 23561714) is N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride.
What is the SMILES notation for N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride?
The canonical SMILES for N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride is CO[Si](CCCN(C(=O)F)c1ccccc1)(OC)OC.
What is the InChIKey of N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride?
The InChIKey is RKJIDMVEFVLPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO4Si/c1-17-20(18-2,19-3)11-7-10-15(13(14)16)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3.
What are the key properties of N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride?
N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride has a molecular weight of 301.39 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(3-trimethoxysilylpropyl)carbamoyl fluoride is sourced from PubChem (CID 23561714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).