N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide

C10H17BrF3NO2 — CID 103212739

IUPACN-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCC(Br)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H17BrF3NO2/c1-2-3-8(11)6-15-9(16)4-5-17-7-10(12,13)14/h8H,2-7H2,1H3,(H,15,16)
InChIKeyNNRIRVVJBZPQDP-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.64
Rot. Bonds8

About N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103212739) has the molecular formula C10H17BrF3NO2 and a molecular weight of 320.15 g/mol. Its IUPAC name is N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103212739
Molecular FormulaC10H17BrF3NO2
Molecular Weight320.15 g/mol
Exact Mass319.04
IUPAC NameN-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCCC(Br)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C10H17BrF3NO2/c1-2-3-8(11)6-15-9(16)4-5-17-7-10(12,13)14/h8H,2-7H2,1H3,(H,15,16)
InChIKeyNNRIRVVJBZPQDP-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107156756
N-(2-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212738
N-[2-(methylamino)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103512606
3-methyl-2-[[3-(2,2,2-trifluoroethoxy)propanoylamino]methyl]butanoic acid
CID 65215233
N-(2-hydroxy-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103770915
2-hydroxy-3-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanamide
CID 107362626
N-(1-aminopentan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209514
N-(2-chloro-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107157536
N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208692
2-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 107832677
N-(4-hydroxybutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 81047660
N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106152917

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103212739) is N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide is CCCC(Br)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is NNRIRVVJBZPQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO2/c1-2-3-8(11)6-15-9(16)4-5-17-7-10(12,13)14/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 320.15 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopentyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103212739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).