(Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one

C14H16F8N2O2 — CID 5340400

IUPAC(Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one
SMILESC/C(=C/C(=O)C(F)(F)C(F)F)NCCN/C(C)=C\C(=O)C(F)(F)C(F)F
InChIInChI=1S/C14H16F8N2O2/c1-7(5-9(25)13(19,20)11(15)16)23-3-4-24-8(2)6-10(26)14(21,22)12(17)18/h5-6,11-12,23-24H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyXQSWIOCHXKZXSH-SFECMWDFSA-N
MW396.28 g/mol
LogP2.91
Rot. Bonds11

About (Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one

(Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one (PubChem CID 5340400) has the molecular formula C14H16F8N2O2 and a molecular weight of 396.28 g/mol. Its IUPAC name is (Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one.

Molecular Properties

Compound Name(Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one
PubChem CID5340400
Molecular FormulaC14H16F8N2O2
Molecular Weight396.28 g/mol
Exact Mass396.11
IUPAC Name(Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one
SMILESC/C(=C/C(=O)C(F)(F)C(F)F)NCCN/C(C)=C\C(=O)C(F)(F)C(F)F
InChIInChI=1S/C14H16F8N2O2/c1-7(5-9(25)13(19,20)11(15)16)23-3-4-24-8(2)6-10(26)14(21,22)12(17)18/h5-6,11-12,23-24H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyXQSWIOCHXKZXSH-SFECMWDFSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one?
The IUPAC name of (Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one (CID 5340400) is (Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one.
What is the SMILES notation for (Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one?
The canonical SMILES for (Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one is C/C(=C/C(=O)C(F)(F)C(F)F)NCCN/C(C)=C\C(=O)C(F)(F)C(F)F.
What is the InChIKey of (Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one?
The InChIKey is XQSWIOCHXKZXSH-SFECMWDFSA-N. The full InChI is InChI=1S/C14H16F8N2O2/c1-7(5-9(25)13(19,20)11(15)16)23-3-4-24-8(2)6-10(26)14(21,22)12(17)18/h5-6,11-12,23-24H,3-4H2,1-2H3/b7-5-,8-6-.
What are the key properties of (Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one?
(Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one has a molecular weight of 396.28 g/mol, XLogP of 2.91, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,2,2-tetrafluoro-5-[2-[[(Z)-5,5,6,6-tetrafluoro-4-oxohex-2-en-2-yl]amino]ethylamino]hex-4-en-3-one is sourced from PubChem (CID 5340400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).