(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene

C12H19FO — CID 134449364

IUPAC(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene
SMILESCC(C)=CCOC(C)/C=C\C=C/CF
InChIInChI=1S/C12H19FO/c1-11(2)8-10-14-12(3)7-5-4-6-9-13/h4-8,12H,9-10H2,1-3H3/b6-4-,7-5-
InChIKeyJZPXZUODAAHJKI-PEPZGXQESA-N
MW198.28 g/mol
LogP3.44
Rot. Bonds6

About (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene

(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene (PubChem CID 134449364) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene
PubChem CID134449364
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene
SMILESCC(C)=CCOC(C)/C=C\C=C/CF
InChIInChI=1S/C12H19FO/c1-11(2)8-10-14-12(3)7-5-4-6-9-13/h4-8,12H,9-10H2,1-3H3/b6-4-,7-5-
InChIKeyJZPXZUODAAHJKI-PEPZGXQESA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene?
The IUPAC name of (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene (CID 134449364) is (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene is CC(C)=CCOC(C)/C=C\C=C/CF.
What is the InChIKey of (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene?
The InChIKey is JZPXZUODAAHJKI-PEPZGXQESA-N. The full InChI is InChI=1S/C12H19FO/c1-11(2)8-10-14-12(3)7-5-4-6-9-13/h4-8,12H,9-10H2,1-3H3/b6-4-,7-5-.
What are the key properties of (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene?
(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene has a molecular weight of 198.28 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hepta-2,4-diene is sourced from PubChem (CID 134449364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).