N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H17BrF3NO2 — CID 106169723

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

About N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 106169723) has the molecular formula C10H17BrF3NO2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID106169723
Molecular FormulaC10H17BrF3NO2
Molecular Weight320.15 g/mol
Exact Mass319.04
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCC(C)(CCBr)NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H17BrF3NO2/c1-3-9(2,4-5-11)15-8(16)6-17-7-10(12,13)14/h3-7H2,1-2H3,(H,15,16)
InChIKeyQXBQUOMJFLCMBU-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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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212456
N-[1-(bromomethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212500
N-[1-(bromomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212535
N-(1-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212538
N-[3-(bromomethyl)pentan-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212548
N-(4-bromo-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212579
N-(1,3-dibromo-2-methylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212609
N-(4-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212765
N-[1-(bromomethyl)cyclopropyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212773
N-(3-bromo-2-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212781
N-[1-(bromomethyl)cyclobutyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212791
N-[4-(bromomethyl)oxan-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 106301013

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 106169723) is N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CCC(C)(CCBr)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is QXBQUOMJFLCMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO2/c1-3-9(2,4-5-11)15-8(16)6-17-7-10(12,13)14/h3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-bromo-3-methylpentan-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-(1-bromo-3-methylpentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 106169723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).