N-(difluoromethyl)-N-propanoylpropanamide

C7H11F2NO2 — CID 154198655

IUPACN-(difluoromethyl)-N-propanoylpropanamide
SMILESCCC(=O)N(C(=O)CC)C(F)F
InChIInChI=1S/C7H11F2NO2/c1-3-5(11)10(7(8)9)6(12)4-2/h7H,3-4H2,1-2H3
InChIKeyLIANELJQYMPRHK-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.38
Rot. Bonds3

About N-(difluoromethyl)-N-propanoylpropanamide

N-(difluoromethyl)-N-propanoylpropanamide (PubChem CID 154198655) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is N-(difluoromethyl)-N-propanoylpropanamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-propanoylpropanamide
PubChem CID154198655
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC NameN-(difluoromethyl)-N-propanoylpropanamide
SMILESCCC(=O)N(C(=O)CC)C(F)F
InChIInChI=1S/C7H11F2NO2/c1-3-5(11)10(7(8)9)6(12)4-2/h7H,3-4H2,1-2H3
InChIKeyLIANELJQYMPRHK-UHFFFAOYSA-N
XLogP1.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N,N-dimethylpropanamide
CID 15104044
N,N-diethyl-2,2,3,3-tetrafluoropropanamide
CID 136233
N-Methyl-N-n-butyltrifluoroacetamide
CID 587692
Acetic acid, trifluoro, N,N-dipropyl
CID 524010
N,N-Diethyl-2,3,3,3-tetrafluoropropionamide
CID 2774042
N,N-Diethyl-3,3,3-trifluoropropanamide
CID 14383591
N-acetyl-N-(2,2-difluoroethyl)acetamide
CID 176437815
N-acetyl-N-(2,2-difluoroethyl)-2-methylpropanamide
CID 176437816
N,N-Diethyl-2,2-difluoropropanamide
CID 10909906
N-Acetyl-2,2,3,3,3-pentafluoro-N-(4-(2,2,3,3,3-pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)propanamido)butyl)propanamide
CID 91691816
N,N-diethyl-2,2,3,3,3-pentafluoropropanamide
CID 12647417
N-methyl-N-(trifluoromethyl)propanamide
CID 20642405

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-propanoylpropanamide?
The IUPAC name of N-(difluoromethyl)-N-propanoylpropanamide (CID 154198655) is N-(difluoromethyl)-N-propanoylpropanamide.
What is the SMILES notation for N-(difluoromethyl)-N-propanoylpropanamide?
The canonical SMILES for N-(difluoromethyl)-N-propanoylpropanamide is CCC(=O)N(C(=O)CC)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-propanoylpropanamide?
The InChIKey is LIANELJQYMPRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-3-5(11)10(7(8)9)6(12)4-2/h7H,3-4H2,1-2H3.
What are the key properties of N-(difluoromethyl)-N-propanoylpropanamide?
N-(difluoromethyl)-N-propanoylpropanamide has a molecular weight of 179.17 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-propanoylpropanamide is sourced from PubChem (CID 154198655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).