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

C11H17FO — CID 134448744

IUPAC(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hexa-2,4-diene
SMILESCC(C)=CCOC/C=C\C=C/CF
InChIInChI=1S/C11H17FO/c1-11(2)7-10-13-9-6-4-3-5-8-12/h3-7H,8-10H2,1-2H3/b5-3-,6-4-
InChIKeyHMXMBXBGXPPWJH-GLIMQPGKSA-N
MW184.25 g/mol
LogP3.05
Rot. Bonds6

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

(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hexa-2,4-diene (PubChem CID 134448744) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hexa-2,4-diene
PubChem CID134448744
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hexa-2,4-diene
SMILESCC(C)=CCOC/C=C\C=C/CF
InChIInChI=1S/C11H17FO/c1-11(2)7-10-13-9-6-4-3-5-8-12/h3-7H,8-10H2,1-2H3/b5-3-,6-4-
InChIKeyHMXMBXBGXPPWJH-GLIMQPGKSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)hexa-2,4-diene?
The IUPAC name of (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hexa-2,4-diene (CID 134448744) is (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hexa-2,4-diene.
What is the SMILES notation for (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hexa-2,4-diene?
The canonical SMILES for (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hexa-2,4-diene is CC(C)=CCOC/C=C\C=C/CF.
What is the InChIKey of (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hexa-2,4-diene?
The InChIKey is HMXMBXBGXPPWJH-GLIMQPGKSA-N. The full InChI is InChI=1S/C11H17FO/c1-11(2)7-10-13-9-6-4-3-5-8-12/h3-7H,8-10H2,1-2H3/b5-3-,6-4-.
What are the key properties of (2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hexa-2,4-diene?
(2Z,4Z)-1-fluoro-6-(3-methylbut-2-enoxy)hexa-2,4-diene has a molecular weight of 184.25 g/mol, XLogP of 3.05, 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)hexa-2,4-diene is sourced from PubChem (CID 134448744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).