N-methyl-4-trifluorosilylbutanamide

C5H10F3NOSi — CID 174136251

IUPACN-methyl-4-trifluorosilylbutanamide
SMILESCNC(=O)CCC[Si](F)(F)F
InChIInChI=1S/C5H10F3NOSi/c1-9-5(10)3-2-4-11(6,7)8/h2-4H2,1H3,(H,9,10)
InChIKeyPFVLLGWMLGKRCJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.36
Rot. Bonds4

About N-methyl-4-trifluorosilylbutanamide

N-methyl-4-trifluorosilylbutanamide (PubChem CID 174136251) has the molecular formula C5H10F3NOSi and a molecular weight of 185.22 g/mol. Its IUPAC name is N-methyl-4-trifluorosilylbutanamide.

Molecular Properties

Compound NameN-methyl-4-trifluorosilylbutanamide
PubChem CID174136251
Molecular FormulaC5H10F3NOSi
Molecular Weight185.22 g/mol
Exact Mass185.05
IUPAC NameN-methyl-4-trifluorosilylbutanamide
SMILESCNC(=O)CCC[Si](F)(F)F
InChIInChI=1S/C5H10F3NOSi/c1-9-5(10)3-2-4-11(6,7)8/h2-4H2,1H3,(H,9,10)
InChIKeyPFVLLGWMLGKRCJ-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethylheptanediamide
CID 15166696
S-(3-trifluorosilylpropyl) N-methylcarbamothioate
CID 174136019
3-bromo-N-methylpropanamide
CID 23033748
N-methyl-4-(sulfanylamino)butanamide
CID 59695052
N-methylheptacosanamide
CID 18175889
5-bromo-N-methylpentanamide
CID 19971018
6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
2-[[12-(methylamino)-12-oxododecanoyl]amino]acetic acid
CID 163272447
4-trimethoxysilylbutanehydrazide
CID 12002198
N-methyl-11-(methylamino)undecanamide
CID 59809097

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-trifluorosilylbutanamide?
The IUPAC name of N-methyl-4-trifluorosilylbutanamide (CID 174136251) is N-methyl-4-trifluorosilylbutanamide.
What is the SMILES notation for N-methyl-4-trifluorosilylbutanamide?
The canonical SMILES for N-methyl-4-trifluorosilylbutanamide is CNC(=O)CCC[Si](F)(F)F.
What is the InChIKey of N-methyl-4-trifluorosilylbutanamide?
The InChIKey is PFVLLGWMLGKRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NOSi/c1-9-5(10)3-2-4-11(6,7)8/h2-4H2,1H3,(H,9,10).
What are the key properties of N-methyl-4-trifluorosilylbutanamide?
N-methyl-4-trifluorosilylbutanamide has a molecular weight of 185.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-trifluorosilylbutanamide is sourced from PubChem (CID 174136251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).