(Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one

C10H17FO2 — CID 166990831

IUPAC(Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one
SMILESCO/C(=C\C(=O)C(C)C)C(C)(C)F
InChIInChI=1S/C10H17FO2/c1-7(2)8(12)6-9(13-5)10(3,4)11/h6-7H,1-5H3/b9-6-
InChIKeyGSQAIGFVSFFUTR-TWGQIWQCSA-N
MW188.24 g/mol
LogP2.49
Rot. Bonds4

About (Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one

(Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one (PubChem CID 166990831) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is (Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one
PubChem CID166990831
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name(Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one
SMILESCO/C(=C\C(=O)C(C)C)C(C)(C)F
InChIInChI=1S/C10H17FO2/c1-7(2)8(12)6-9(13-5)10(3,4)11/h6-7H,1-5H3/b9-6-
InChIKeyGSQAIGFVSFFUTR-TWGQIWQCSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.49
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)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one?
The IUPAC name of (Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one (CID 166990831) is (Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one.
What is the SMILES notation for (Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one?
The canonical SMILES for (Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one is CO/C(=C\C(=O)C(C)C)C(C)(C)F.
What is the InChIKey of (Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one?
The InChIKey is GSQAIGFVSFFUTR-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H17FO2/c1-7(2)8(12)6-9(13-5)10(3,4)11/h6-7H,1-5H3/b9-6-.
What are the key properties of (Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one?
(Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one has a molecular weight of 188.24 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-fluoro-5-methoxy-2,6-dimethylhept-4-en-3-one is sourced from PubChem (CID 166990831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).