(Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one

C11H19FO2 — CID 167023399

IUPAC(Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one
SMILESCO/C(=C\C(=O)CC(C)C)C(C)(C)F
InChIInChI=1S/C11H19FO2/c1-8(2)6-9(13)7-10(14-5)11(3,4)12/h7-8H,6H2,1-5H3/b10-7-
InChIKeyLJRPCFAPPSSPJS-YFHOEESVSA-N
MW202.27 g/mol
LogP2.88
Rot. Bonds5

About (Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one

(Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one (PubChem CID 167023399) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is (Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one.

Molecular Properties

Compound Name(Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one
PubChem CID167023399
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name(Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one
SMILESCO/C(=C\C(=O)CC(C)C)C(C)(C)F
InChIInChI=1S/C11H19FO2/c1-8(2)6-9(13)7-10(14-5)11(3,4)12/h7-8H,6H2,1-5H3/b10-7-
InChIKeyLJRPCFAPPSSPJS-YFHOEESVSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one?
The IUPAC name of (Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one (CID 167023399) is (Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one.
What is the SMILES notation for (Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one?
The canonical SMILES for (Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one is CO/C(=C\C(=O)CC(C)C)C(C)(C)F.
What is the InChIKey of (Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one?
The InChIKey is LJRPCFAPPSSPJS-YFHOEESVSA-N. The full InChI is InChI=1S/C11H19FO2/c1-8(2)6-9(13)7-10(14-5)11(3,4)12/h7-8H,6H2,1-5H3/b10-7-.
What are the key properties of (Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one?
(Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one has a molecular weight of 202.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-fluoro-6-methoxy-2,7-dimethyloct-5-en-4-one is sourced from PubChem (CID 167023399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).