4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide

C11H20F3NO2 — CID 66180086

IUPAC4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide
SMILESCC(C)CC(C)(O)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-8(2)6-10(3,17)7-15-9(16)4-5-11(12,13)14/h8,17H,4-7H2,1-3H3,(H,15,16)
InChIKeyGJOQUZCDODVXFX-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.24
Rot. Bonds6

About 4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide

4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide (PubChem CID 66180086) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide
PubChem CID66180086
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide
SMILESCC(C)CC(C)(O)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-8(2)6-10(3,17)7-15-9(16)4-5-11(12,13)14/h8,17H,4-7H2,1-3H3,(H,15,16)
InChIKeyGJOQUZCDODVXFX-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide (CID 66180086) is 4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide is CC(C)CC(C)(O)CNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide?
The InChIKey is GJOQUZCDODVXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8(2)6-10(3,17)7-15-9(16)4-5-11(12,13)14/h8,17H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide?
4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide has a molecular weight of 255.28 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide is sourced from PubChem (CID 66180086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).