N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide

C8H14ClF2NO2 — CID 103208688

IUPACN-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)NCCCCl
InChIInChI=1S/C8H14ClF2NO2/c9-3-1-4-12-8(13)2-5-14-6-7(10)11/h7H,1-6H2,(H,12,13)
InChIKeyUFLDVWDAENXFDT-UHFFFAOYSA-N
MW229.65 g/mol
LogP1.40
Rot. Bonds8

About N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide

N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103208688) has the molecular formula C8H14ClF2NO2 and a molecular weight of 229.65 g/mol. Its IUPAC name is N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103208688
Molecular FormulaC8H14ClF2NO2
Molecular Weight229.65 g/mol
Exact Mass229.07
IUPAC NameN-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)NCCCCl
InChIInChI=1S/C8H14ClF2NO2/c9-3-1-4-12-8(13)2-5-14-6-7(10)11/h7H,1-6H2,(H,12,13)
InChIKeyUFLDVWDAENXFDT-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide (CID 103208688) is N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide is O=C(CCOCC(F)F)NCCCCl.
What is the InChIKey of N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is UFLDVWDAENXFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO2/c9-3-1-4-12-8(13)2-5-14-6-7(10)11/h7H,1-6H2,(H,12,13).
What are the key properties of N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide?
N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 229.65 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103208688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).