2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide

C9H16F3NO — CID 131998274

IUPAC2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide
SMILESCCC(C)(C)C(=O)NC(C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-5-8(3,4)7(14)13-6(2)9(10,11)12/h6H,5H2,1-4H3,(H,13,14)
InChIKeyUACDMQSLTFHUMT-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.49
Rot. Bonds3

About 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide

2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide (PubChem CID 131998274) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide
PubChem CID131998274
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide
SMILESCCC(C)(C)C(=O)NC(C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-5-8(3,4)7(14)13-6(2)9(10,11)12/h6H,5H2,1-4H3,(H,13,14)
InChIKeyUACDMQSLTFHUMT-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
CID 62677681
N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide
CID 63733019
N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide
CID 71931421
4-(2,2-dimethylbutanoylamino)-2,2-dimethylpentanoic acid
CID 146339486
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106356781
ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate
CID 155330526
2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid
CID 122513396
N-[(2R)-2-(ethylamino)propyl]-2,2-dimethylbutanamide
CID 120653493
N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide
CID 114313422

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide (CID 131998274) is 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide is CCC(C)(C)C(=O)NC(C)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide?
The InChIKey is UACDMQSLTFHUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-5-8(3,4)7(14)13-6(2)9(10,11)12/h6H,5H2,1-4H3,(H,13,14).
What are the key properties of 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide?
2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide has a molecular weight of 211.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide is sourced from PubChem (CID 131998274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).