2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide

C12H22F3NO2 — CID 158075293

IUPAC2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide
SMILESCCC(C)(C)C(=O)NC(C)CC(C)(O)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-6-10(3,4)9(17)16-8(2)7-11(5,18)12(13,14)15/h8,18H,6-7H2,1-5H3,(H,16,17)
InChIKeyXXZHVCTUEXYOEC-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.63
Rot. Bonds5

About 2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide

2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide (PubChem CID 158075293) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide
PubChem CID158075293
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide
SMILESCCC(C)(C)C(=O)NC(C)CC(C)(O)C(F)(F)F
InChIInChI=1S/C12H22F3NO2/c1-6-10(3,4)9(17)16-8(2)7-11(5,18)12(13,14)15/h8,18H,6-7H2,1-5H3,(H,16,17)
InChIKeyXXZHVCTUEXYOEC-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide (CID 158075293) is 2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide is CCC(C)(C)C(=O)NC(C)CC(C)(O)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide?
The InChIKey is XXZHVCTUEXYOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-6-10(3,4)9(17)16-8(2)7-11(5,18)12(13,14)15/h8,18H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide?
2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide has a molecular weight of 269.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5,5,5-trifluoro-4-hydroxy-4-methylpentan-2-yl)butanamide is sourced from PubChem (CID 158075293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).