N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide

C7H13F3N2O — CID 5150913

IUPACN-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide
SMILESCN(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-12(2)5-3-4-11-6(13)7(8,9)10/h3-5H2,1-2H3,(H,11,13)
InChIKeyFCYYNALTLZDPAJ-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.62
Rot. Bonds4

About N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide

N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide (PubChem CID 5150913) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide
PubChem CID5150913
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC NameN-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide
SMILESCN(C)CCCNC(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-12(2)5-3-4-11-6(13)7(8,9)10/h3-5H2,1-2H3,(H,11,13)
InChIKeyFCYYNALTLZDPAJ-UHFFFAOYSA-N
XLogP0.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide (CID 5150913) is N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide is CN(C)CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide?
The InChIKey is FCYYNALTLZDPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-12(2)5-3-4-11-6(13)7(8,9)10/h3-5H2,1-2H3,(H,11,13).
What are the key properties of N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide?
N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide has a molecular weight of 198.19 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 5150913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).