2,2,2-trifluoro-N-methyl-N-propylacetamide

C6H10F3NO — CID 22086827

IUPAC2,2,2-trifluoro-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3-4-10(2)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyVAMDBPCJRBCRGX-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.42
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-propylacetamide

2,2,2-trifluoro-N-methyl-N-propylacetamide (PubChem CID 22086827) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-propylacetamide
PubChem CID22086827
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name2,2,2-trifluoro-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-3-4-10(2)5(11)6(7,8)9/h3-4H2,1-2H3
InChIKeyVAMDBPCJRBCRGX-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-propylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-propylacetamide (CID 22086827) is 2,2,2-trifluoro-N-methyl-N-propylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-propylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-propylacetamide is CCCN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-propylacetamide?
The InChIKey is VAMDBPCJRBCRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-3-4-10(2)5(11)6(7,8)9/h3-4H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-propylacetamide?
2,2,2-trifluoro-N-methyl-N-propylacetamide has a molecular weight of 169.15 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-propylacetamide is sourced from PubChem (CID 22086827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).