3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide

C9H13F6NO — CID 3516856

IUPAC3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-5(2)4-16-6(17)7(3,8(10,11)12)9(13,14)15/h5H,4H2,1-3H3,(H,16,17)
InChIKeyPYJMTEOOTVJAQZ-UHFFFAOYSA-N
MW265.20 g/mol
LogP2.89
Rot. Bonds3

About 3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide (PubChem CID 3516856) has the molecular formula C9H13F6NO and a molecular weight of 265.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide
PubChem CID3516856
Molecular FormulaC9H13F6NO
Molecular Weight265.20 g/mol
Exact Mass265.09
IUPAC Name3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO/c1-5(2)4-16-6(17)7(3,8(10,11)12)9(13,14)15/h5H,4H2,1-3H3,(H,16,17)
InChIKeyPYJMTEOOTVJAQZ-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N-(2-methylpropyl)butanamide
CID 534742
n-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 614617
2,2,3,3,4,4,4-Heptafluoro-n-propylbutanamide
CID 614782
2,2,2-Trifluoro-n-propylacetamide
CID 580996
Acetamide, 2,2,2-trifluoro-N-(2-methylpropyl)-
CID 581281
Propanamide, N-isobutyl-2,2-dimethyl
CID 528633
Acetamide, 2-fluoro-N-isobutyl-
CID 9733
1-Aminopentane PFP
CID 600673
Isopropylamine, N-pentafluoropropionyl-
CID 3578709
3,3,3-trifluoro-N-(2-methylpropyl)propanamide
CID 5123923
n-Butyl-2,2,3,3,3-pentafluoropropanamide
CID 600675
N-(2,2,3,3,3-pentafluoropropyl)acetamide
CID 54111123

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide (CID 3516856) is 3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide is CC(C)CNC(=O)C(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide?
The InChIKey is PYJMTEOOTVJAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO/c1-5(2)4-16-6(17)7(3,8(10,11)12)9(13,14)15/h5H,4H2,1-3H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide has a molecular weight of 265.20 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 3516856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).