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

C9H16F3NO2 — CID 66179672

IUPAC2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCC(C)CC(C)(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6(2)4-8(3,15)5-13-7(14)9(10,11)12/h6,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyCXMWXETUAAVCHF-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.46
Rot. Bonds4

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

2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (PubChem CID 66179672) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
PubChem CID66179672
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
SMILESCC(C)CC(C)(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6(2)4-8(3,15)5-13-7(14)9(10,11)12/h6,15H,4-5H2,1-3H3,(H,13,14)
InChIKeyCXMWXETUAAVCHF-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide (CID 66179672) is 2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide is CC(C)CC(C)(O)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
The InChIKey is CXMWXETUAAVCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6(2)4-8(3,15)5-13-7(14)9(10,11)12/h6,15H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide?
2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide has a molecular weight of 227.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)acetamide is sourced from PubChem (CID 66179672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).