2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide

C6H9F3N2O2 — CID 89395670

IUPAC2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide
SMILESCC(C(N)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c1-3(4(10)12)5(13)11-2-6(7,8)9/h3H,2H2,1H3,(H2,10,12)(H,11,13)
InChIKeyGQXCGHWFCKYQEK-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.21
Rot. Bonds3

About 2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide

2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide (PubChem CID 89395670) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is 2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide.

Molecular Properties

Compound Name2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide
PubChem CID89395670
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide
SMILESCC(C(N)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O2/c1-3(4(10)12)5(13)11-2-6(7,8)9/h3H,2H2,1H3,(H2,10,12)(H,11,13)
InChIKeyGQXCGHWFCKYQEK-UHFFFAOYSA-N
XLogP-0.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Acetamide, 2,2,2-trifluoro-N-(2-methylpropyl)-
CID 581281
3,3,3-trifluoro-N-(2-methylpropyl)propanamide
CID 5123923
2,2,2-trifluoro-N-(3-(methylamino)propyl)acetamide
CID 58587431
N,N'-diethylpropanediamide
CID 4600245
N-ethylpropanediamide
CID 14686248
i-Butyl malonamide
CID 54100149
4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide
CID 81487620
3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propanamide
CID 2748450
N-butyl-3-(butylamino)-2,2-difluoropropanamide
CID 14093530
N-(3-amino-2-methyl-3-oxopropyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 18409432
2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 23388571
3-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24693658

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide?
The IUPAC name of 2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide (CID 89395670) is 2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide.
What is the SMILES notation for 2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide?
The canonical SMILES for 2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide is CC(C(N)=O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide?
The InChIKey is GQXCGHWFCKYQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c1-3(4(10)12)5(13)11-2-6(7,8)9/h3H,2H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide?
2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide has a molecular weight of 198.14 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide is sourced from PubChem (CID 89395670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).