(3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne

C8H7F — CID 89392703

IUPAC(3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne
SMILESC#C/C=C\C(F)=C/C=C
InChIInChI=1S/C8H7F/c1-3-5-7-8(9)6-4-2/h1,4-7H,2H2/b7-5-,8-6+
InChIKeyKUGZWHCPHDSOAN-CGXWXWIYSA-N
MW122.14 g/mol
LogP2.22
Rot. Bonds2

About (3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne

(3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne (PubChem CID 89392703) has the molecular formula C8H7F and a molecular weight of 122.14 g/mol. Its IUPAC name is (3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne.

Molecular Properties

Compound Name(3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne
PubChem CID89392703
Molecular FormulaC8H7F
Molecular Weight122.14 g/mol
Exact Mass122.05
IUPAC Name(3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne
SMILESC#C/C=C\C(F)=C/C=C
InChIInChI=1S/C8H7F/c1-3-5-7-8(9)6-4-2/h1,4-7H,2H2/b7-5-,8-6+
InChIKeyKUGZWHCPHDSOAN-CGXWXWIYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne?
The IUPAC name of (3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne (CID 89392703) is (3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne.
What is the SMILES notation for (3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne?
The canonical SMILES for (3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne is C#C/C=C\C(F)=C/C=C.
What is the InChIKey of (3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne?
The InChIKey is KUGZWHCPHDSOAN-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H7F/c1-3-5-7-8(9)6-4-2/h1,4-7H,2H2/b7-5-,8-6+.
What are the key properties of (3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne?
(3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne has a molecular weight of 122.14 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne is sourced from PubChem (CID 89392703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).