2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide

C9H12F6N2O2 — CID 58971605

IUPAC2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
SMILESCN(CCCN(C)C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C9H12F6N2O2/c1-16(6(18)8(10,11)12)4-3-5-17(2)7(19)9(13,14)15/h3-5H2,1-2H3
InChIKeyMPHDVSZRORHNRG-UHFFFAOYSA-N
MW294.20 g/mol
LogP1.42
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide

2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide (PubChem CID 58971605) has the molecular formula C9H12F6N2O2 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
PubChem CID58971605
Molecular FormulaC9H12F6N2O2
Molecular Weight294.20 g/mol
Exact Mass294.08
IUPAC Name2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
SMILESCN(CCCN(C)C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C9H12F6N2O2/c1-16(6(18)8(10,11)12)4-3-5-17(2)7(19)9(13,14)15/h3-5H2,1-2H3
InChIKeyMPHDVSZRORHNRG-UHFFFAOYSA-N
XLogP1.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide (CID 58971605) is 2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide is CN(CCCN(C)C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
The InChIKey is MPHDVSZRORHNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N2O2/c1-16(6(18)8(10,11)12)4-3-5-17(2)7(19)9(13,14)15/h3-5H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide has a molecular weight of 294.20 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide is sourced from PubChem (CID 58971605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).