N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C10H18BrF2NO2 — CID 107491739

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)N(CCBr)CC(F)F
InChIInChI=1S/C10H18BrF2NO2/c1-10(2,3)16-7-9(15)14(5-4-11)6-8(12)13/h8H,4-7H2,1-3H3
InChIKeyJJAJBWYSLIPLJR-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.29
Rot. Bonds6

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 107491739) has the molecular formula C10H18BrF2NO2 and a molecular weight of 302.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID107491739
Molecular FormulaC10H18BrF2NO2
Molecular Weight302.16 g/mol
Exact Mass301.05
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)N(CCBr)CC(F)F
InChIInChI=1S/C10H18BrF2NO2/c1-10(2,3)16-7-9(15)14(5-4-11)6-8(12)13/h8H,4-7H2,1-3H3
InChIKeyJJAJBWYSLIPLJR-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.29
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-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 107491739) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is JJAJBWYSLIPLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrF2NO2/c1-10(2,3)16-7-9(15)14(5-4-11)6-8(12)13/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 302.16 g/mol, XLogP of 2.29, 6 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-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 107491739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).