N-(difluoromethoxy)propanamide

C4H7F2NO2 — CID 87581787

IUPACN-(difluoromethoxy)propanamide
SMILESCCC(=O)NOC(F)F
InChIInChI=1S/C4H7F2NO2/c1-2-3(8)7-9-4(5)6/h4H,2H2,1H3,(H,7,8)
InChIKeyPNJUFSHQIIKXDL-UHFFFAOYSA-N
MW139.10 g/mol
LogP0.67
Rot. Bonds3

About N-(difluoromethoxy)propanamide

N-(difluoromethoxy)propanamide (PubChem CID 87581787) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is N-(difluoromethoxy)propanamide.

Molecular Properties

Compound NameN-(difluoromethoxy)propanamide
PubChem CID87581787
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC NameN-(difluoromethoxy)propanamide
SMILESCCC(=O)NOC(F)F
InChIInChI=1S/C4H7F2NO2/c1-2-3(8)7-9-4(5)6/h4H,2H2,1H3,(H,7,8)
InChIKeyPNJUFSHQIIKXDL-UHFFFAOYSA-N
XLogP0.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethoxy)propanamide?
The IUPAC name of N-(difluoromethoxy)propanamide (CID 87581787) is N-(difluoromethoxy)propanamide.
What is the SMILES notation for N-(difluoromethoxy)propanamide?
The canonical SMILES for N-(difluoromethoxy)propanamide is CCC(=O)NOC(F)F.
What is the InChIKey of N-(difluoromethoxy)propanamide?
The InChIKey is PNJUFSHQIIKXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c1-2-3(8)7-9-4(5)6/h4H,2H2,1H3,(H,7,8).
What are the key properties of N-(difluoromethoxy)propanamide?
N-(difluoromethoxy)propanamide has a molecular weight of 139.10 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethoxy)propanamide is sourced from PubChem (CID 87581787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).