N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide

C10H17BrF3NO2 — CID 103212548

IUPACN-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(CC)(CBr)NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H17BrF3NO2/c1-3-9(4-2,6-11)15-8(16)5-17-7-10(12,13)14/h3-7H2,1-2H3,(H,15,16)
InChIKeyFACAJFFVMKVTOZ-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.64
Rot. Bonds7

About N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212548) has the molecular formula C10H17BrF3NO2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212548
Molecular FormulaC10H17BrF3NO2
Molecular Weight320.15 g/mol
Exact Mass319.04
IUPAC NameN-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(CC)(CBr)NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H17BrF3NO2/c1-3-9(4-2,6-11)15-8(16)5-17-7-10(12,13)14/h3-7H2,1-2H3,(H,15,16)
InChIKeyFACAJFFVMKVTOZ-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212548) is N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide is CCC(CC)(CBr)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is FACAJFFVMKVTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO2/c1-3-9(4-2,6-11)15-8(16)5-17-7-10(12,13)14/h3-7H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 320.15 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).