2,2-difluoropropanamide;2-fluoroacetic acid

C5H8F3NO3 — CID 130237623

IUPAC2,2-difluoropropanamide;2-fluoroacetic acid
SMILESCC(F)(F)C(N)=O.O=C(O)CF
InChIInChI=1S/C3H5F2NO.C2H3FO2/c1-3(4,5)2(6)7;3-1-2(4)5/h1H3,(H2,6,7);1H2,(H,4,5)
InChIKeyQLFKDJDJLHAKRF-UHFFFAOYSA-N
MW187.12 g/mol
LogP0.17
Rot. Bonds2

About 2,2-difluoropropanamide;2-fluoroacetic acid

2,2-difluoropropanamide;2-fluoroacetic acid (PubChem CID 130237623) has the molecular formula C5H8F3NO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 2,2-difluoropropanamide;2-fluoroacetic acid.

Molecular Properties

Compound Name2,2-difluoropropanamide;2-fluoroacetic acid
PubChem CID130237623
Molecular FormulaC5H8F3NO3
Molecular Weight187.12 g/mol
Exact Mass187.05
IUPAC Name2,2-difluoropropanamide;2-fluoroacetic acid
SMILESCC(F)(F)C(N)=O.O=C(O)CF
InChIInChI=1S/C3H5F2NO.C2H3FO2/c1-3(4,5)2(6)7;3-1-2(4)5/h1H3,(H2,6,7);1H2,(H,4,5)
InChIKeyQLFKDJDJLHAKRF-UHFFFAOYSA-N
XLogP0.17
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropanamide;2-fluoroacetic acid?
The IUPAC name of 2,2-difluoropropanamide;2-fluoroacetic acid (CID 130237623) is 2,2-difluoropropanamide;2-fluoroacetic acid.
What is the SMILES notation for 2,2-difluoropropanamide;2-fluoroacetic acid?
The canonical SMILES for 2,2-difluoropropanamide;2-fluoroacetic acid is CC(F)(F)C(N)=O.O=C(O)CF.
What is the InChIKey of 2,2-difluoropropanamide;2-fluoroacetic acid?
The InChIKey is QLFKDJDJLHAKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2NO.C2H3FO2/c1-3(4,5)2(6)7;3-1-2(4)5/h1H3,(H2,6,7);1H2,(H,4,5).
What are the key properties of 2,2-difluoropropanamide;2-fluoroacetic acid?
2,2-difluoropropanamide;2-fluoroacetic acid has a molecular weight of 187.12 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropanamide;2-fluoroacetic acid is sourced from PubChem (CID 130237623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).