2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide

C8H16F3NOSi — CID 57294112

IUPAC2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide
SMILESCC(C(N)=O)[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C8H16F3NOSi/c1-6(7(12)13)14(2,3)5-4-8(9,10)11/h6H,4-5H2,1-3H3,(H2,12,13)
InChIKeyPNESKUYEHFIJGD-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.52
Rot. Bonds4

About 2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide

2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide (PubChem CID 57294112) has the molecular formula C8H16F3NOSi and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide.

Molecular Properties

Compound Name2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide
PubChem CID57294112
Molecular FormulaC8H16F3NOSi
Molecular Weight227.30 g/mol
Exact Mass227.10
IUPAC Name2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide
SMILESCC(C(N)=O)[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C8H16F3NOSi/c1-6(7(12)13)14(2,3)5-4-8(9,10)11/h6H,4-5H2,1-3H3,(H2,12,13)
InChIKeyPNESKUYEHFIJGD-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide?
The IUPAC name of 2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide (CID 57294112) is 2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide.
What is the SMILES notation for 2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide?
The canonical SMILES for 2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide is CC(C(N)=O)[Si](C)(C)CCC(F)(F)F.
What is the InChIKey of 2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide?
The InChIKey is PNESKUYEHFIJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NOSi/c1-6(7(12)13)14(2,3)5-4-8(9,10)11/h6H,4-5H2,1-3H3,(H2,12,13).
What are the key properties of 2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide?
2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide has a molecular weight of 227.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(3,3,3-trifluoropropyl)silyl]propanamide is sourced from PubChem (CID 57294112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).