N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide

C9H13BrF3NO2 — CID 103212791

IUPACN-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1(CBr)CCC1
InChIInChI=1S/C9H13BrF3NO2/c10-5-8(2-1-3-8)14-7(15)4-16-6-9(11,12)13/h1-6H2,(H,14,15)
InChIKeyNVVAKISAULURFT-UHFFFAOYSA-N
MW304.11 g/mol
LogP2.00
Rot. Bonds5

About N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212791) has the molecular formula C9H13BrF3NO2 and a molecular weight of 304.11 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212791
Molecular FormulaC9H13BrF3NO2
Molecular Weight304.11 g/mol
Exact Mass303.01
IUPAC NameN-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1(CBr)CCC1
InChIInChI=1S/C9H13BrF3NO2/c10-5-8(2-1-3-8)14-7(15)4-16-6-9(11,12)13/h1-6H2,(H,14,15)
InChIKeyNVVAKISAULURFT-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 52.00
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-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212791) is N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NC1(CBr)CCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is NVVAKISAULURFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrF3NO2/c10-5-8(2-1-3-8)14-7(15)4-16-6-9(11,12)13/h1-6H2,(H,14,15).
What are the key properties of N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 304.11 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).