2-trifluorosilylpropanamide

C3H6F3NOSi — CID 22051976

IUPAC2-trifluorosilylpropanamide
SMILESCC(C(N)=O)[Si](F)(F)F
InChIInChI=1S/C3H6F3NOSi/c1-2(3(7)8)9(4,5)6/h2H,1H3,(H2,7,8)
InChIKeyNRKJCUCMVBBHGL-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.71
Rot. Bonds2

About 2-trifluorosilylpropanamide

2-trifluorosilylpropanamide (PubChem CID 22051976) has the molecular formula C3H6F3NOSi and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-trifluorosilylpropanamide.

Molecular Properties

Compound Name2-trifluorosilylpropanamide
PubChem CID22051976
Molecular FormulaC3H6F3NOSi
Molecular Weight157.17 g/mol
Exact Mass157.02
IUPAC Name2-trifluorosilylpropanamide
SMILESCC(C(N)=O)[Si](F)(F)F
InChIInChI=1S/C3H6F3NOSi/c1-2(3(7)8)9(4,5)6/h2H,1H3,(H2,7,8)
InChIKeyNRKJCUCMVBBHGL-UHFFFAOYSA-N
XLogP0.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.71
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

(2S)-2-fluoropropanamide
CID 129374964
ethane;2-methylpropanamide;molecular hydrogen
CID 143394269
2-[ethenyl(dimethyl)silyl]propanamide
CID 54349421
2,3-dimethylbutanediamide
CID 55281411
1,1-dichloroethane;urea
CID 158856998
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
2-aminopropanamide;dihydrochloride
CID 19963402
2-methylpropanamide;bis(propan-2-one)
CID 174404145
2-aminopropanamide;ethane
CID 156828005
(2R,3S)-2-amino-3-chlorobutanamide
CID 71420306
ethane-1,2-diol;2-fluoropropanamide
CID 175562566
2-fluoro-3-hydroxybutanamide
CID 152681723

Frequently Asked Questions

What is the IUPAC name of 2-trifluorosilylpropanamide?
The IUPAC name of 2-trifluorosilylpropanamide (CID 22051976) is 2-trifluorosilylpropanamide.
What is the SMILES notation for 2-trifluorosilylpropanamide?
The canonical SMILES for 2-trifluorosilylpropanamide is CC(C(N)=O)[Si](F)(F)F.
What is the InChIKey of 2-trifluorosilylpropanamide?
The InChIKey is NRKJCUCMVBBHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NOSi/c1-2(3(7)8)9(4,5)6/h2H,1H3,(H2,7,8).
What are the key properties of 2-trifluorosilylpropanamide?
2-trifluorosilylpropanamide has a molecular weight of 157.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trifluorosilylpropanamide is sourced from PubChem (CID 22051976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).