(3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene

C12H19FO — CID 146499112

IUPAC(3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene
SMILESC=C(C)/C=C\C(=C/CF)CCCOC
InChIInChI=1S/C12H19FO/c1-11(2)6-7-12(8-9-13)5-4-10-14-3/h6-8H,1,4-5,9-10H2,2-3H3/b7-6-,12-8-
InChIKeyBOLMXVBCTUZTSK-IJDSZTBYSA-N
MW198.28 g/mol
LogP3.44
Rot. Bonds7

About (3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene

(3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene (PubChem CID 146499112) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is (3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene.

Molecular Properties

Compound Name(3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene
PubChem CID146499112
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name(3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene
SMILESC=C(C)/C=C\C(=C/CF)CCCOC
InChIInChI=1S/C12H19FO/c1-11(2)6-7-12(8-9-13)5-4-10-14-3/h6-8H,1,4-5,9-10H2,2-3H3/b7-6-,12-8-
InChIKeyBOLMXVBCTUZTSK-IJDSZTBYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene?
The IUPAC name of (3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene (CID 146499112) is (3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene.
What is the SMILES notation for (3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene?
The canonical SMILES for (3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene is C=C(C)/C=C\C(=C/CF)CCCOC.
What is the InChIKey of (3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene?
The InChIKey is BOLMXVBCTUZTSK-IJDSZTBYSA-N. The full InChI is InChI=1S/C12H19FO/c1-11(2)6-7-12(8-9-13)5-4-10-14-3/h6-8H,1,4-5,9-10H2,2-3H3/b7-6-,12-8-.
What are the key properties of (3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene?
(3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene has a molecular weight of 198.28 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-(2-fluoroethylidene)-8-methoxy-2-methylocta-1,3-diene is sourced from PubChem (CID 146499112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).