N-difluoroboranylpropanamide

C3H6BF2NO — CID 174891306

IUPACN-difluoroboranylpropanamide
SMILESCCC(=O)NB(F)F
InChIInChI=1S/C3H6BF2NO/c1-2-3(8)7-4(5)6/h2H2,1H3,(H,7,8)
InChIKeyDVZAKTJKKOPTCZ-UHFFFAOYSA-N
MW120.89 g/mol
LogP0.44
Rot. Bonds2

About N-difluoroboranylpropanamide

N-difluoroboranylpropanamide (PubChem CID 174891306) has the molecular formula C3H6BF2NO and a molecular weight of 120.89 g/mol. Its IUPAC name is N-difluoroboranylpropanamide.

Molecular Properties

Compound NameN-difluoroboranylpropanamide
PubChem CID174891306
Molecular FormulaC3H6BF2NO
Molecular Weight120.89 g/mol
Exact Mass121.05
IUPAC NameN-difluoroboranylpropanamide
SMILESCCC(=O)NB(F)F
InChIInChI=1S/C3H6BF2NO/c1-2-3(8)7-4(5)6/h2H2,1H3,(H,7,8)
InChIKeyDVZAKTJKKOPTCZ-UHFFFAOYSA-N
XLogP0.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.89
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-difluoroboranylpropanamide?
The IUPAC name of N-difluoroboranylpropanamide (CID 174891306) is N-difluoroboranylpropanamide.
What is the SMILES notation for N-difluoroboranylpropanamide?
The canonical SMILES for N-difluoroboranylpropanamide is CCC(=O)NB(F)F.
What is the InChIKey of N-difluoroboranylpropanamide?
The InChIKey is DVZAKTJKKOPTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BF2NO/c1-2-3(8)7-4(5)6/h2H2,1H3,(H,7,8).
What are the key properties of N-difluoroboranylpropanamide?
N-difluoroboranylpropanamide has a molecular weight of 120.89 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-difluoroboranylpropanamide is sourced from PubChem (CID 174891306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).