N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H19ClF3NO2 — CID 114149552

IUPACN-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(CCCCl)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C11H19ClF3NO2/c1-10(2,4-3-5-12)7-16-9(17)6-18-8-11(13,14)15/h3-8H2,1-2H3,(H,16,17)
InChIKeyNTNRZSUDZJACJF-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.73
Rot. Bonds8

About N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 114149552) has the molecular formula C11H19ClF3NO2 and a molecular weight of 289.73 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID114149552
Molecular FormulaC11H19ClF3NO2
Molecular Weight289.73 g/mol
Exact Mass289.11
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(CCCCl)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C11H19ClF3NO2/c1-10(2,4-3-5-12)7-16-9(17)6-18-8-11(13,14)15/h3-8H2,1-2H3,(H,16,17)
InChIKeyNTNRZSUDZJACJF-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103820669
N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475
N-(5-hydroxy-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103899562
N-(4-chloro-2,2-dimethylbutyl)-2-ethoxyacetamide
CID 106143075
N-(3-amino-2,2-difluoropropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104954954
N-(3,3-dimethyl-2-oxobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103867644
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113331571
N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212390
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutanamide
CID 106143278
4-chloro-2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 106140442
3,3,3-trifluoro-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
CID 103206127
N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605551

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 114149552) is N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)(CCCCl)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is NTNRZSUDZJACJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO2/c1-10(2,4-3-5-12)7-16-9(17)6-18-8-11(13,14)15/h3-8H2,1-2H3,(H,16,17).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 289.73 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 114149552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).