(3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene

C9H15FO — CID 138465038

IUPAC(3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene
SMILESCC/C=C\C(OC)=C(\F)CC
InChIInChI=1S/C9H15FO/c1-4-6-7-9(11-3)8(10)5-2/h6-7H,4-5H2,1-3H3/b7-6-,9-8-
InChIKeyRRMHFMFSGQNVTL-JPDBVBESSA-N
MW158.22 g/mol
LogP3.19
Rot. Bonds4

About (3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene

(3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene (PubChem CID 138465038) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene
PubChem CID138465038
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene
SMILESCC/C=C\C(OC)=C(\F)CC
InChIInChI=1S/C9H15FO/c1-4-6-7-9(11-3)8(10)5-2/h6-7H,4-5H2,1-3H3/b7-6-,9-8-
InChIKeyRRMHFMFSGQNVTL-JPDBVBESSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 53.19
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 (3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene?
The IUPAC name of (3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene (CID 138465038) is (3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene.
What is the SMILES notation for (3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene?
The canonical SMILES for (3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene is CC/C=C\C(OC)=C(\F)CC.
What is the InChIKey of (3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene?
The InChIKey is RRMHFMFSGQNVTL-JPDBVBESSA-N. The full InChI is InChI=1S/C9H15FO/c1-4-6-7-9(11-3)8(10)5-2/h6-7H,4-5H2,1-3H3/b7-6-,9-8-.
What are the key properties of (3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene?
(3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene has a molecular weight of 158.22 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene is sourced from PubChem (CID 138465038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).