3-(2,2-difluoroethylamino)-2H-furan-5-one

C6H7F2NO2 — CID 76970572

IUPAC3-(2,2-difluoroethylamino)-2H-furan-5-one
SMILESO=C1C=C(NCC(F)F)CO1
InChIInChI=1S/C6H7F2NO2/c7-5(8)2-9-4-1-6(10)11-3-4/h1,5,9H,2-3H2
InChIKeyVLVQKHOAIGBZTD-UHFFFAOYSA-N
MW163.12 g/mol
LogP0.28
Rot. Bonds3

About 3-(2,2-difluoroethylamino)-2H-furan-5-one

3-(2,2-difluoroethylamino)-2H-furan-5-one (PubChem CID 76970572) has the molecular formula C6H7F2NO2 and a molecular weight of 163.12 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)-2H-furan-5-one.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)-2H-furan-5-one
PubChem CID76970572
Molecular FormulaC6H7F2NO2
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name3-(2,2-difluoroethylamino)-2H-furan-5-one
SMILESO=C1C=C(NCC(F)F)CO1
InChIInChI=1S/C6H7F2NO2/c7-5(8)2-9-4-1-6(10)11-3-4/h1,5,9H,2-3H2
InChIKeyVLVQKHOAIGBZTD-UHFFFAOYSA-N
XLogP0.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylamino)-2H-furan-5-one?
The IUPAC name of 3-(2,2-difluoroethylamino)-2H-furan-5-one (CID 76970572) is 3-(2,2-difluoroethylamino)-2H-furan-5-one.
What is the SMILES notation for 3-(2,2-difluoroethylamino)-2H-furan-5-one?
The canonical SMILES for 3-(2,2-difluoroethylamino)-2H-furan-5-one is O=C1C=C(NCC(F)F)CO1.
What is the InChIKey of 3-(2,2-difluoroethylamino)-2H-furan-5-one?
The InChIKey is VLVQKHOAIGBZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2/c7-5(8)2-9-4-1-6(10)11-3-4/h1,5,9H,2-3H2.
What are the key properties of 3-(2,2-difluoroethylamino)-2H-furan-5-one?
3-(2,2-difluoroethylamino)-2H-furan-5-one has a molecular weight of 163.12 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)-2H-furan-5-one is sourced from PubChem (CID 76970572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).