2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide

C9H16F3NO2 — CID 103899670

IUPAC2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(C)(CCCO)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(2,4-3-5-14)6-13-7(15)9(10,11)12/h14H,3-6H2,1-2H3,(H,13,15)
InChIKeyGJEGVYFFKGEODB-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.46
Rot. Bonds5

About 2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide

2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide (PubChem CID 103899670) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
PubChem CID103899670
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(C)(CCCO)CNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(2,4-3-5-14)6-13-7(15)9(10,11)12/h14H,3-6H2,1-2H3,(H,13,15)
InChIKeyGJEGVYFFKGEODB-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

N-[4,4-bis(hydroxymethyl)-7-[(2,2,2-trifluoroacetyl)amino]heptyl]-2,2,2-trifluoroacetamide
CID 19354207
2,2,2-trifluoro-N-[5-hydroxy-4-(hydroxymethyl)pentyl]acetamide
CID 57039387
2,2,2-trifluoro-N-(5-hydroxy-2-methylpentyl)acetamide
CID 87580737
N-[5,5,5-trifluoro-4-(hydroxymethyl)pentyl]acetamide
CID 88125185
N-(2,2-dimethylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol
CID 145149400
ethane;N-(2-methylhexyl)acetamide;(2R)-2-methyl-2-(trifluoromethyl)hexan-1-ol
CID 145149403
3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 103526832
2,2,2-trifluoro-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825117
N-[2-ethyl-2-(hydroxymethyl)butyl]-3,3,3-trifluoropropanamide
CID 103843201
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,3,3-tetrafluoropropanamide
CID 103843283
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2,2-trifluoroacetamide
CID 103843679
4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide
CID 103862001

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide (CID 103899670) is 2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide is CC(C)(CCCO)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The InChIKey is GJEGVYFFKGEODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-8(2,4-3-5-14)6-13-7(15)9(10,11)12/h14H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide has a molecular weight of 227.23 g/mol, XLogP of 1.46, 5 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-(5-hydroxy-2,2-dimethylpentyl)acetamide is sourced from PubChem (CID 103899670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).