(1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene

C7H11FO — CID 118612602

IUPAC(1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene
SMILESCO/C=C/C=C\C(C)F
InChIInChI=1S/C7H11FO/c1-7(8)5-3-4-6-9-2/h3-7H,1-2H3/b5-3-,6-4+
InChIKeyODYNPQYRYIXDKQ-CIIODKQPSA-N
MW130.16 g/mol
LogP2.06
Rot. Bonds3

About (1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene

(1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene (PubChem CID 118612602) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is (1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene
PubChem CID118612602
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name(1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene
SMILESCO/C=C/C=C\C(C)F
InChIInChI=1S/C7H11FO/c1-7(8)5-3-4-6-9-2/h3-7H,1-2H3/b5-3-,6-4+
InChIKeyODYNPQYRYIXDKQ-CIIODKQPSA-N
XLogP2.06
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 ≤ 52.06
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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Related Compounds

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CID 88997135
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CID 163444931
3,3-difluoro-1-methoxyprop-1-ene
CID 91499712
4-fluoro-3,3-bis(fluoromethyl)-1-methoxybut-1-ene
CID 152683238
(1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
CID 6440136
2-(4-methoxybut-3-en-2-yloxy)ethanol
CID 76540714
1-methoxy-4,6-dimethylhepta-1,3-diene
CID 123970131
(2E,4E)-5-methoxypenta-2,4-dienal
CID 15344962
1-methoxydodeca-1,3,5,7,9-pentaene
CID 71335564
[(1E,3E)-4-methoxybuta-1,3-dienyl]-trimethylsilane
CID 102586948
[(E)-3-methoxyprop-2-enylidene]-(3-methylbutan-2-yl)azanium
CID 163649951
(Z)-2-fluoro-5-methylidenehept-3-ene
CID 142878223

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene?
The IUPAC name of (1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene (CID 118612602) is (1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene.
What is the SMILES notation for (1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene?
The canonical SMILES for (1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene is CO/C=C/C=C\C(C)F.
What is the InChIKey of (1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene?
The InChIKey is ODYNPQYRYIXDKQ-CIIODKQPSA-N. The full InChI is InChI=1S/C7H11FO/c1-7(8)5-3-4-6-9-2/h3-7H,1-2H3/b5-3-,6-4+.
What are the key properties of (1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene?
(1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene has a molecular weight of 130.16 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-fluoro-1-methoxyhexa-1,3-diene is sourced from PubChem (CID 118612602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).