N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide

C8H13ClF3NO2 — CID 103212390

IUPACN-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CCl)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C8H13ClF3NO2/c1-6(2-9)3-13-7(14)4-15-5-8(10,11)12/h6H,2-5H2,1H3,(H,13,14)
InChIKeyBJHGVSODSUEZHB-UHFFFAOYSA-N
MW247.64 g/mol
LogP1.56
Rot. Bonds6

About N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212390) has the molecular formula C8H13ClF3NO2 and a molecular weight of 247.64 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212390
Molecular FormulaC8H13ClF3NO2
Molecular Weight247.64 g/mol
Exact Mass247.06
IUPAC NameN-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CCl)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C8H13ClF3NO2/c1-6(2-9)3-13-7(14)4-15-5-8(10,11)12/h6H,2-5H2,1H3,(H,13,14)
InChIKeyBJHGVSODSUEZHB-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 51.56
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-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212703
N-(2-ethyl-4-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113254236
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-chloro-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 114149552
N-(3,3-dimethyl-2-oxobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103867644
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 111452358
N-(3-amino-2,2-difluoropropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104954954
N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209117
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113331571
N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103951564
N-(2-chloro-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107157536

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212390) is N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(CCl)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is BJHGVSODSUEZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClF3NO2/c1-6(2-9)3-13-7(14)4-15-5-8(10,11)12/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 247.64 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).