(1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene

C7H11FO — CID 134312978

IUPAC(1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene
SMILESCC/C(F)=C\C=C/OC
InChIInChI=1S/C7H11FO/c1-3-7(8)5-4-6-9-2/h4-6H,3H2,1-2H3/b6-4-,7-5+
InChIKeyQIXLONITKZGRHZ-XGXWUAJZSA-N
MW130.16 g/mol
LogP2.41
Rot. Bonds3

About (1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene

(1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene (PubChem CID 134312978) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is (1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene
PubChem CID134312978
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name(1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene
SMILESCC/C(F)=C\C=C/OC
InChIInChI=1S/C7H11FO/c1-3-7(8)5-4-6-9-2/h4-6H,3H2,1-2H3/b6-4-,7-5+
InChIKeyQIXLONITKZGRHZ-XGXWUAJZSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene?
The IUPAC name of (1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene (CID 134312978) is (1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene.
What is the SMILES notation for (1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene?
The canonical SMILES for (1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene is CC/C(F)=C\C=C/OC.
What is the InChIKey of (1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene?
The InChIKey is QIXLONITKZGRHZ-XGXWUAJZSA-N. The full InChI is InChI=1S/C7H11FO/c1-3-7(8)5-4-6-9-2/h4-6H,3H2,1-2H3/b6-4-,7-5+.
What are the key properties of (1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene?
(1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene has a molecular weight of 130.16 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-fluoro-1-methoxyhexa-1,3-diene is sourced from PubChem (CID 134312978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).