(3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene

C11H17FO — CID 143101330

IUPAC(3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene
SMILESC=C/C=C(\C=C/C)OCCCCF
InChIInChI=1S/C11H17FO/c1-3-7-11(8-4-2)13-10-6-5-9-12/h3-4,7-8H,1,5-6,9-10H2,2H3/b8-4-,11-7+
InChIKeyVVTOCSUFJFHMDN-USRDNGHPSA-N
MW184.25 g/mol
LogP3.40
Rot. Bonds7

About (3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene

(3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene (PubChem CID 143101330) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is (3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene
PubChem CID143101330
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name(3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene
SMILESC=C/C=C(\C=C/C)OCCCCF
InChIInChI=1S/C11H17FO/c1-3-7-11(8-4-2)13-10-6-5-9-12/h3-4,7-8H,1,5-6,9-10H2,2H3/b8-4-,11-7+
InChIKeyVVTOCSUFJFHMDN-USRDNGHPSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene (CID 143101330) is (3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene is C=C/C=C(\C=C/C)OCCCCF.
What is the InChIKey of (3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene?
The InChIKey is VVTOCSUFJFHMDN-USRDNGHPSA-N. The full InChI is InChI=1S/C11H17FO/c1-3-7-11(8-4-2)13-10-6-5-9-12/h3-4,7-8H,1,5-6,9-10H2,2H3/b8-4-,11-7+.
What are the key properties of (3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene?
(3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene has a molecular weight of 184.25 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-(4-fluorobutoxy)hepta-1,3,5-triene is sourced from PubChem (CID 143101330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).