N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide

C6H10F3NO3 — CID 59882303

IUPACN-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide
SMILESCOC(CNC(=O)C(F)(F)F)OC
InChIInChI=1S/C6H10F3NO3/c1-12-4(13-2)3-10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyALNYBZQZZJDCIG-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.28
Rot. Bonds4

About N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide

N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide (PubChem CID 59882303) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide
PubChem CID59882303
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC NameN-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide
SMILESCOC(CNC(=O)C(F)(F)F)OC
InChIInChI=1S/C6H10F3NO3/c1-12-4(13-2)3-10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyALNYBZQZZJDCIG-UHFFFAOYSA-N
XLogP0.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide (CID 59882303) is N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide is COC(CNC(=O)C(F)(F)F)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide?
The InChIKey is ALNYBZQZZJDCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-12-4(13-2)3-10-5(11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide?
N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide has a molecular weight of 201.14 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59882303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).