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

C6H7F2NO2 — CID 162535511

IUPAC3-(2,2-difluoroethylamino)-3H-furan-2-one
SMILESO=C1OC=CC1NCC(F)F
InChIInChI=1S/C6H7F2NO2/c7-5(8)3-9-4-1-2-11-6(4)10/h1-2,4-5,9H,3H2
InChIKeyOTMUOHLRVQOFRI-UHFFFAOYSA-N
MW163.12 g/mol
LogP0.28
Rot. Bonds3

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

3-(2,2-difluoroethylamino)-3H-furan-2-one (PubChem CID 162535511) has the molecular formula C6H7F2NO2 and a molecular weight of 163.12 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)-3H-furan-2-one.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)-3H-furan-2-one
PubChem CID162535511
Molecular FormulaC6H7F2NO2
Molecular Weight163.12 g/mol
Exact Mass163.04
IUPAC Name3-(2,2-difluoroethylamino)-3H-furan-2-one
SMILESO=C1OC=CC1NCC(F)F
InChIInChI=1S/C6H7F2NO2/c7-5(8)3-9-4-1-2-11-6(4)10/h1-2,4-5,9H,3H2
InChIKeyOTMUOHLRVQOFRI-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)-3H-furan-2-one?
The IUPAC name of 3-(2,2-difluoroethylamino)-3H-furan-2-one (CID 162535511) is 3-(2,2-difluoroethylamino)-3H-furan-2-one.
What is the SMILES notation for 3-(2,2-difluoroethylamino)-3H-furan-2-one?
The canonical SMILES for 3-(2,2-difluoroethylamino)-3H-furan-2-one is O=C1OC=CC1NCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylamino)-3H-furan-2-one?
The InChIKey is OTMUOHLRVQOFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2/c7-5(8)3-9-4-1-2-11-6(4)10/h1-2,4-5,9H,3H2.
What are the key properties of 3-(2,2-difluoroethylamino)-3H-furan-2-one?
3-(2,2-difluoroethylamino)-3H-furan-2-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)-3H-furan-2-one is sourced from PubChem (CID 162535511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).