N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H15BrF3NO2 — CID 103212563

IUPACN-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CCCBr)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H15BrF3NO2/c1-7(3-2-4-10)14-8(15)5-16-6-9(11,12)13/h7H,2-6H2,1H3,(H,14,15)
InChIKeyNCYQZCHIXVSUCW-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.25
Rot. Bonds7

About N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212563) has the molecular formula C9H15BrF3NO2 and a molecular weight of 306.12 g/mol. Its IUPAC name is N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212563
Molecular FormulaC9H15BrF3NO2
Molecular Weight306.12 g/mol
Exact Mass305.02
IUPAC NameN-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CCCBr)NC(=O)COCC(F)(F)F
InChIInChI=1S/C9H15BrF3NO2/c1-7(3-2-4-10)14-8(15)5-16-6-9(11,12)13/h7H,2-6H2,1H3,(H,14,15)
InChIKeyNCYQZCHIXVSUCW-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.25
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-(5-bromopentan-2-yl)-2-propan-2-yloxyacetamide
CID 112604192
N-(4-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212703
N-(5-bromopentan-2-yl)butanamide
CID 114316345
2-ethoxy-N-(4,4,4-trifluorobutan-2-yl)acetamide
CID 104854854
N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209512
methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
CID 103940728
N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660
2-(2-methoxyethoxy)-N-(6-methylheptan-2-yl)acetamide
CID 86977751
5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid
CID 103206219
N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 114212190
N-(4-chlorobutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212622
N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209251

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212563) is N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(CCCBr)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is NCYQZCHIXVSUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF3NO2/c1-7(3-2-4-10)14-8(15)5-16-6-9(11,12)13/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 306.12 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).