2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide

C9H17F3N2O — CID 176735067

IUPAC2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide
SMILESCC(C)NCN(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C9H17F3N2O/c1-6(2)13-5-14(7(3)4)8(15)9(10,11)12/h6-7,13H,5H2,1-4H3
InChIKeyHQBQTYKNAQHJOJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.74
Rot. Bonds4

About 2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide

2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide (PubChem CID 176735067) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide
PubChem CID176735067
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide
SMILESCC(C)NCN(C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C9H17F3N2O/c1-6(2)13-5-14(7(3)4)8(15)9(10,11)12/h6-7,13H,5H2,1-4H3
InChIKeyHQBQTYKNAQHJOJ-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide (CID 176735067) is 2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide is CC(C)NCN(C(=O)C(F)(F)F)C(C)C.
What is the InChIKey of 2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide?
The InChIKey is HQBQTYKNAQHJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6(2)13-5-14(7(3)4)8(15)9(10,11)12/h6-7,13H,5H2,1-4H3.
What are the key properties of 2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide?
2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide has a molecular weight of 226.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-propan-2-yl-N-[(propan-2-ylamino)methyl]acetamide is sourced from PubChem (CID 176735067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).