N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide

C11H18BrF2NO2 — CID 107491914

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)N(CCBr)CC(F)F)CCC1
InChIInChI=1S/C11H18BrF2NO2/c1-17-11(3-2-4-11)7-10(16)15(6-5-12)8-9(13)14/h9H,2-8H2,1H3
InChIKeyXYMIKCFZWQWFGC-UHFFFAOYSA-N
MW314.17 g/mol
LogP2.43
Rot. Bonds7

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 107491914) has the molecular formula C11H18BrF2NO2 and a molecular weight of 314.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID107491914
Molecular FormulaC11H18BrF2NO2
Molecular Weight314.17 g/mol
Exact Mass313.05
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)N(CCBr)CC(F)F)CCC1
InChIInChI=1S/C11H18BrF2NO2/c1-17-11(3-2-4-11)7-10(16)15(6-5-12)8-9(13)14/h9H,2-8H2,1H3
InChIKeyXYMIKCFZWQWFGC-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 52.43
H-Bond Donors ≤ 50
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-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide (CID 107491914) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)N(CCBr)CC(F)F)CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is XYMIKCFZWQWFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrF2NO2/c1-17-11(3-2-4-11)7-10(16)15(6-5-12)8-9(13)14/h9H,2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 314.17 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 107491914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).