N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide

C11H19ClF3NO2 — CID 106117768

IUPACN-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCC(CCCl)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C11H19ClF3NO2/c1-2-3-9(4-5-12)6-16-10(17)7-18-8-11(13,14)15/h9H,2-8H2,1H3,(H,16,17)
InChIKeyYPWSLRRVSXYGHJ-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.73
Rot. Bonds9

About N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 106117768) has the molecular formula C11H19ClF3NO2 and a molecular weight of 289.73 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID106117768
Molecular FormulaC11H19ClF3NO2
Molecular Weight289.73 g/mol
Exact Mass289.11
IUPAC NameN-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCC(CCCl)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C11H19ClF3NO2/c1-2-3-9(4-5-12)6-16-10(17)7-18-8-11(13,14)15/h9H,2-8H2,1H3,(H,16,17)
InChIKeyYPWSLRRVSXYGHJ-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-[4-(2-chloro-2-fluorocyclopropyl)butyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 178258204
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823382
N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990297
N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990487
N-(1-chloro-4-methylpentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212374
N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212390
N-[(2-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212396
N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212420
N-(1-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212424
N-(5-chloropentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212428
N-(4-chloro-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212433
N-(4-chloro-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212436

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 106117768) is N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide is CCCC(CCCl)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YPWSLRRVSXYGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO2/c1-2-3-9(4-5-12)6-16-10(17)7-18-8-11(13,14)15/h9H,2-8H2,1H3,(H,16,17).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 289.73 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 106117768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).