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

C8H14ClF2NO2 — CID 103212333

IUPACN-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(Cl)CNC(=O)CCOCC(F)F
InChIInChI=1S/C8H14ClF2NO2/c1-6(9)4-12-8(13)2-3-14-5-7(10)11/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyNFUSUGXNNJQQRK-UHFFFAOYSA-N
MW229.65 g/mol
LogP1.40
Rot. Bonds7

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

N-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103212333) has the molecular formula C8H14ClF2NO2 and a molecular weight of 229.65 g/mol. Its IUPAC name is N-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103212333
Molecular FormulaC8H14ClF2NO2
Molecular Weight229.65 g/mol
Exact Mass229.07
IUPAC NameN-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(Cl)CNC(=O)CCOCC(F)F
InChIInChI=1S/C8H14ClF2NO2/c1-6(9)4-12-8(13)2-3-14-5-7(10)11/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyNFUSUGXNNJQQRK-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide (CID 103212333) is N-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide is CC(Cl)CNC(=O)CCOCC(F)F.
What is the InChIKey of N-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is NFUSUGXNNJQQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO2/c1-6(9)4-12-8(13)2-3-14-5-7(10)11/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide?
N-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 229.65 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103212333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).