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

C8H13BrF3NO2 — CID 103208692

IUPACN-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCCCBr
InChIInChI=1S/C8H13BrF3NO2/c9-3-1-4-13-7(14)2-5-15-6-8(10,11)12/h1-6H2,(H,13,14)
InChIKeyFFAXCSAJHCXRCB-UHFFFAOYSA-N
MW292.10 g/mol
LogP1.86
Rot. Bonds7

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

N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103208692) has the molecular formula C8H13BrF3NO2 and a molecular weight of 292.10 g/mol. Its IUPAC name is N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103208692
Molecular FormulaC8H13BrF3NO2
Molecular Weight292.10 g/mol
Exact Mass291.01
IUPAC NameN-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCCCBr
InChIInChI=1S/C8H13BrF3NO2/c9-3-1-4-13-7(14)2-5-15-6-8(10,11)12/h1-6H2,(H,13,14)
InChIKeyFFAXCSAJHCXRCB-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 51.86
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

4-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 43354992
N-(4-iodobutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106846214
N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106152917
N-[2-(2-methoxyethylamino)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 113344912
2-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propanoylamino]butanoic acid
CID 107832677
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
1-bromo-8-(2,2,2-trifluoroethoxy)octan-4-one
CID 106798772
N-(5-hydroxy-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103899562
4,4-dimethyl-6-[3-(2,2,2-trifluoroethoxy)propanoylamino]hexanoic acid
CID 65284068
N-(1,3-dibromo-2-methylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212608
N-(2-amino-2-sulfanylideneethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208314
N-(2-bromo-4,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 107156756

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103208692) is N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is FFAXCSAJHCXRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF3NO2/c9-3-1-4-13-7(14)2-5-15-6-8(10,11)12/h1-6H2,(H,13,14).
What are the key properties of N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 292.10 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103208692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).