N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride

C14H16FNOSi — CID 59658282

IUPACN-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride
SMILESC=C[Si](C=C)(C=C)c1cccc(N(C)C(=O)F)c1
InChIInChI=1S/C14H16FNOSi/c1-5-18(6-2,7-3)13-10-8-9-12(11-13)16(4)14(15)17/h5-11H,1-3H2,4H3
InChIKeyZNSGWKWELLRWDA-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.04
Rot. Bonds5

About N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride

N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride (PubChem CID 59658282) has the molecular formula C14H16FNOSi and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride.

Molecular Properties

Compound NameN-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride
PubChem CID59658282
Molecular FormulaC14H16FNOSi
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC NameN-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride
SMILESC=C[Si](C=C)(C=C)c1cccc(N(C)C(=O)F)c1
InChIInChI=1S/C14H16FNOSi/c1-5-18(6-2,7-3)13-10-8-9-12(11-13)16(4)14(15)17/h5-11H,1-3H2,4H3
InChIKeyZNSGWKWELLRWDA-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride?
The IUPAC name of N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride (CID 59658282) is N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride.
What is the SMILES notation for N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride?
The canonical SMILES for N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride is C=C[Si](C=C)(C=C)c1cccc(N(C)C(=O)F)c1.
What is the InChIKey of N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride?
The InChIKey is ZNSGWKWELLRWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOSi/c1-5-18(6-2,7-3)13-10-8-9-12(11-13)16(4)14(15)17/h5-11H,1-3H2,4H3.
What are the key properties of N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride?
N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride has a molecular weight of 261.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-tris(ethenyl)silylphenyl]carbamoyl fluoride is sourced from PubChem (CID 59658282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).