(3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione

C12H12F6O4 — CID 24786506

IUPAC(3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione
SMILESCO/C(=C\C(=O)C(F)(F)F)CC/C(=C/C(=O)C(F)(F)F)OC
InChIInChI=1S/C12H12F6O4/c1-21-7(5-9(19)11(13,14)15)3-4-8(22-2)6-10(20)12(16,17)18/h5-6H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyBBNHJAWATJXCIR-SFECMWDFSA-N
MW334.21 g/mol
LogP3.09
Rot. Bonds7

About (3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione

(3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione (PubChem CID 24786506) has the molecular formula C12H12F6O4 and a molecular weight of 334.21 g/mol. Its IUPAC name is (3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione.

Molecular Properties

Compound Name(3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione
PubChem CID24786506
Molecular FormulaC12H12F6O4
Molecular Weight334.21 g/mol
Exact Mass334.06
IUPAC Name(3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione
SMILESCO/C(=C\C(=O)C(F)(F)F)CC/C(=C/C(=O)C(F)(F)F)OC
InChIInChI=1S/C12H12F6O4/c1-21-7(5-9(19)11(13,14)15)3-4-8(22-2)6-10(20)12(16,17)18/h5-6H,3-4H2,1-2H3/b7-5-,8-6-
InChIKeyBBNHJAWATJXCIR-SFECMWDFSA-N
XLogP3.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione with MolForge

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Related Compounds

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CID 125511610
1,1,1-Trifluoro-4-methoxy-3-hexene-2-one
CID 15475218
(E)-1,1,1-trifluoro-4-methoxyhex-3-en-2-one
CID 46197634
Methyl 7,7,7-trifluoro-4-methoxy-6-oxohept-4-enoate
CID 129877751
methyl (Z)-7,7,7-trifluoro-4-methoxy-6-oxohept-4-enoate
CID 139218869
2-(1,1,2,2,3,3,3-Heptafluoropropyl)-6-methylpyran-4-one
CID 10934747
1,1,1,2,2-Pentafluoro-5-methoxyhex-4-en-3-one
CID 91701140
(Z)-5,5-difluoro-4-methoxypent-3-en-2-one
CID 58098238
(Z)-1,1,1,5-tetrafluoro-4-methoxy-5-methylhex-3-en-2-one
CID 156227399
2-methoxyprop-1-ene;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;(Z)-1,1,1-trifluoro-4-methoxypent-3-en-2-one
CID 157727462
2-Methoxyprop-1-ene;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate;1,1,1-trifluoro-4-methoxypent-3-en-2-one
CID 157727463
(Z)-5,5,6,6-tetrafluoro-4-methoxyhept-3-en-2-one
CID 162442526

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione?
The IUPAC name of (3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione (CID 24786506) is (3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione.
What is the SMILES notation for (3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione?
The canonical SMILES for (3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione is CO/C(=C\C(=O)C(F)(F)F)CC/C(=C/C(=O)C(F)(F)F)OC.
What is the InChIKey of (3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione?
The InChIKey is BBNHJAWATJXCIR-SFECMWDFSA-N. The full InChI is InChI=1S/C12H12F6O4/c1-21-7(5-9(19)11(13,14)15)3-4-8(22-2)6-10(20)12(16,17)18/h5-6H,3-4H2,1-2H3/b7-5-,8-6-.
What are the key properties of (3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione?
(3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione has a molecular weight of 334.21 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-1,1,1,10,10,10-hexafluoro-4,7-dimethoxydeca-3,7-diene-2,9-dione is sourced from PubChem (CID 24786506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).