(Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one

C6H3F8NO — CID 117063906

IUPAC(Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one
SMILESN/C(=C\C(=O)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F8NO/c7-4(8,6(12,13)14)2(15)1-3(16)5(9,10)11/h1H,15H2/b2-1-
InChIKeyCEARCUILTTZAGF-UPHRSURJSA-N
MW257.08 g/mol
LogP2.16
Rot. Bonds2

About (Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one

(Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one (PubChem CID 117063906) has the molecular formula C6H3F8NO and a molecular weight of 257.08 g/mol. Its IUPAC name is (Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one
PubChem CID117063906
Molecular FormulaC6H3F8NO
Molecular Weight257.08 g/mol
Exact Mass257.01
IUPAC Name(Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one
SMILESN/C(=C\C(=O)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F8NO/c7-4(8,6(12,13)14)2(15)1-3(16)5(9,10)11/h1H,15H2/b2-1-
InChIKeyCEARCUILTTZAGF-UPHRSURJSA-N
XLogP2.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one?
The IUPAC name of (Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one (CID 117063906) is (Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one.
What is the SMILES notation for (Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one?
The canonical SMILES for (Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one is N/C(=C\C(=O)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one?
The InChIKey is CEARCUILTTZAGF-UPHRSURJSA-N. The full InChI is InChI=1S/C6H3F8NO/c7-4(8,6(12,13)14)2(15)1-3(16)5(9,10)11/h1H,15H2/b2-1-.
What are the key properties of (Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one?
(Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one has a molecular weight of 257.08 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-1,1,1,5,5,6,6,6-octafluorohex-3-en-2-one is sourced from PubChem (CID 117063906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).