N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide

C8H14BrF2NO2 — CID 103212483

IUPACN-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(CBr)NC(=O)CCOCC(F)F
InChIInChI=1S/C8H14BrF2NO2/c1-6(4-9)12-8(13)2-3-14-5-7(10)11/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyJAUKYBSOHTYDJK-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.56
Rot. Bonds7

About N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide

N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103212483) has the molecular formula C8H14BrF2NO2 and a molecular weight of 274.11 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103212483
Molecular FormulaC8H14BrF2NO2
Molecular Weight274.11 g/mol
Exact Mass273.02
IUPAC NameN-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(CBr)NC(=O)CCOCC(F)F
InChIInChI=1S/C8H14BrF2NO2/c1-6(4-9)12-8(13)2-3-14-5-7(10)11/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyJAUKYBSOHTYDJK-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.56
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-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205439
4-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 103206025
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
N-(2-bromo-1-phenylethyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212491
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]-3-hydroxypropanoic acid
CID 103206146
N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205523
(2R)-2-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 107562818
3-(2,2-difluoroethoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103525153
N-(4-bromopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 106131283
1-(2,2-difluoroethoxy)-4-methylpentan-3-one
CID 103147305
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
2-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
CID 103205835

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide (CID 103212483) is N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide is CC(CBr)NC(=O)CCOCC(F)F.
What is the InChIKey of N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is JAUKYBSOHTYDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF2NO2/c1-6(4-9)12-8(13)2-3-14-5-7(10)11/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 274.11 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103212483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).