4-amino-5,5-difluoropentan-2-one

C5H9F2NO — CID 163448252

IUPAC4-amino-5,5-difluoropentan-2-one
SMILESCC(=O)CC(N)C(F)F
InChIInChI=1S/C5H9F2NO/c1-3(9)2-4(8)5(6)7/h4-5H,2,8H2,1H3
InChIKeyBEIWGIWYOABQRL-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.56
Rot. Bonds3

About 4-amino-5,5-difluoropentan-2-one

4-amino-5,5-difluoropentan-2-one (PubChem CID 163448252) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 4-amino-5,5-difluoropentan-2-one.

Molecular Properties

Compound Name4-amino-5,5-difluoropentan-2-one
PubChem CID163448252
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name4-amino-5,5-difluoropentan-2-one
SMILESCC(=O)CC(N)C(F)F
InChIInChI=1S/C5H9F2NO/c1-3(9)2-4(8)5(6)7/h4-5H,2,8H2,1H3
InChIKeyBEIWGIWYOABQRL-UHFFFAOYSA-N
XLogP0.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5-difluoropentan-2-one?
The IUPAC name of 4-amino-5,5-difluoropentan-2-one (CID 163448252) is 4-amino-5,5-difluoropentan-2-one.
What is the SMILES notation for 4-amino-5,5-difluoropentan-2-one?
The canonical SMILES for 4-amino-5,5-difluoropentan-2-one is CC(=O)CC(N)C(F)F.
What is the InChIKey of 4-amino-5,5-difluoropentan-2-one?
The InChIKey is BEIWGIWYOABQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-3(9)2-4(8)5(6)7/h4-5H,2,8H2,1H3.
What are the key properties of 4-amino-5,5-difluoropentan-2-one?
4-amino-5,5-difluoropentan-2-one has a molecular weight of 137.13 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5-difluoropentan-2-one is sourced from PubChem (CID 163448252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).