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

C9H17F2NO2 — CID 103208971

IUPAC3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO2/c1-7(2)5-12-9(13)3-4-14-6-8(10)11/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyLDWDXVXDTXTZGZ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.43
Rot. Bonds7

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

3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide (PubChem CID 103208971) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide
PubChem CID103208971
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCOCC(F)F
InChIInChI=1S/C9H17F2NO2/c1-7(2)5-12-9(13)3-4-14-6-8(10)11/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyLDWDXVXDTXTZGZ-UHFFFAOYSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide (CID 103208971) is 3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide?
The InChIKey is LDWDXVXDTXTZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-7(2)5-12-9(13)3-4-14-6-8(10)11/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide?
3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide has a molecular weight of 209.24 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 103208971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).