(Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione

C13H19F3O3 — CID 163512672

IUPAC(Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione
SMILESCO[C@H](/C=C(/C)CC(=O)CC(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C13H19F3O3/c1-8(2)11(19-4)6-9(3)5-10(17)7-12(18)13(14,15)16/h6,8,11H,5,7H2,1-4H3/b9-6-/t11-/m1/s1
InChIKeyDEACSANQOGMQRB-DHHDDZJSSA-N
MW280.29 g/mol
LogP3.08
Rot. Bonds7

About (Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione

(Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione (PubChem CID 163512672) has the molecular formula C13H19F3O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is (Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione.

Molecular Properties

Compound Name(Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione
PubChem CID163512672
Molecular FormulaC13H19F3O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name(Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione
SMILESCO[C@H](/C=C(/C)CC(=O)CC(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C13H19F3O3/c1-8(2)11(19-4)6-9(3)5-10(17)7-12(18)13(14,15)16/h6,8,11H,5,7H2,1-4H3/b9-6-/t11-/m1/s1
InChIKeyDEACSANQOGMQRB-DHHDDZJSSA-N
XLogP3.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione?
The IUPAC name of (Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione (CID 163512672) is (Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione.
What is the SMILES notation for (Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione?
The canonical SMILES for (Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione is CO[C@H](/C=C(/C)CC(=O)CC(=O)C(F)(F)F)C(C)C.
What is the InChIKey of (Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione?
The InChIKey is DEACSANQOGMQRB-DHHDDZJSSA-N. The full InChI is InChI=1S/C13H19F3O3/c1-8(2)11(19-4)6-9(3)5-10(17)7-12(18)13(14,15)16/h6,8,11H,5,7H2,1-4H3/b9-6-/t11-/m1/s1.
What are the key properties of (Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione?
(Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione has a molecular weight of 280.29 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,8S)-1,1,1-trifluoro-8-methoxy-6,9-dimethyldec-6-ene-2,4-dione is sourced from PubChem (CID 163512672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).