3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide

C9H16F3NO — CID 164555722

IUPAC3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(2)5-13-7(14)8(3,4)9(10,11)12/h6H,5H2,1-4H3,(H,13,14)
InChIKeyFYTDGNACGJQKAY-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.35
Rot. Bonds3

About 3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide

3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide (PubChem CID 164555722) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide
PubChem CID164555722
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(2)5-13-7(14)8(3,4)9(10,11)12/h6H,5H2,1-4H3,(H,13,14)
InChIKeyFYTDGNACGJQKAY-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide
CID 4123450
3,3,3-trifluoro-2,2-dimethyl-N-(11-methyldodecyl)propanamide
CID 170026598
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
2,2-difluoro-N-(2-methylpropyl)tridecanamide
CID 138530179
2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
CID 134954879
N-(2-aminopropyl)-2,2-difluoropropanamide
CID 126985905
2-ethyl-N-(2-methylpropyl)-2-phosphanylbutanamide
CID 174280865
ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 164555835
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
4-hydroxy-2-methyl-N-(2-methylpropyl)-2-(sulfanylamino)butanamide
CID 176948809
2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide
CID 153306593
N,2,2-trimethyl-3-(2-methylpropylcarbamothioylamino)propanamide
CID 103822773

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide (CID 164555722) is 3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)(C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide?
The InChIKey is FYTDGNACGJQKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(2)5-13-7(14)8(3,4)9(10,11)12/h6H,5H2,1-4H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide?
3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide has a molecular weight of 211.23 g/mol, XLogP of 2.35, 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-2,2-dimethyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 164555722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).