(3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne

C8H9F — CID 126761965

IUPAC(3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne
SMILESC#C/C(C)=C(F)/C=C\C
InChIInChI=1S/C8H9F/c1-4-6-8(9)7(3)5-2/h2,4,6H,1,3H3/b6-4-,8-7-
InChIKeyZAPKKYYPYRRLDT-MOIRPGTBSA-N
MW124.16 g/mol
LogP2.44
Rot. Bonds1

About (3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne

(3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne (PubChem CID 126761965) has the molecular formula C8H9F and a molecular weight of 124.16 g/mol. Its IUPAC name is (3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne.

Molecular Properties

Compound Name(3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne
PubChem CID126761965
Molecular FormulaC8H9F
Molecular Weight124.16 g/mol
Exact Mass124.07
IUPAC Name(3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne
SMILESC#C/C(C)=C(F)/C=C\C
InChIInChI=1S/C8H9F/c1-4-6-8(9)7(3)5-2/h2,4,6H,1,3H3/b6-4-,8-7-
InChIKeyZAPKKYYPYRRLDT-MOIRPGTBSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 52.44
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 (3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne?
The IUPAC name of (3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne (CID 126761965) is (3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne.
What is the SMILES notation for (3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne?
The canonical SMILES for (3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne is C#C/C(C)=C(F)/C=C\C.
What is the InChIKey of (3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne?
The InChIKey is ZAPKKYYPYRRLDT-MOIRPGTBSA-N. The full InChI is InChI=1S/C8H9F/c1-4-6-8(9)7(3)5-2/h2,4,6H,1,3H3/b6-4-,8-7-.
What are the key properties of (3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne?
(3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne has a molecular weight of 124.16 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-fluoro-3-methylhepta-3,5-dien-1-yne is sourced from PubChem (CID 126761965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).