(3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene

C10H11F — CID 139514120

IUPAC(3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene
SMILESC#C/C(=C/C(C)=C\C)C(=C)F
InChIInChI=1S/C10H11F/c1-5-8(3)7-10(6-2)9(4)11/h2,5,7H,4H2,1,3H3/b8-5-,10-7-
InChIKeyFJYPPWOHBKHUSK-OUOSTHCTSA-N
MW150.20 g/mol
LogP3.00
Rot. Bonds2

About (3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene

(3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene (PubChem CID 139514120) has the molecular formula C10H11F and a molecular weight of 150.20 g/mol. Its IUPAC name is (3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene
PubChem CID139514120
Molecular FormulaC10H11F
Molecular Weight150.20 g/mol
Exact Mass150.08
IUPAC Name(3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene
SMILESC#C/C(=C/C(C)=C\C)C(=C)F
InChIInChI=1S/C10H11F/c1-5-8(3)7-10(6-2)9(4)11/h2,5,7H,4H2,1,3H3/b8-5-,10-7-
InChIKeyFJYPPWOHBKHUSK-OUOSTHCTSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 53.00
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)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene (CID 139514120) is (3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene is C#C/C(=C/C(C)=C\C)C(=C)F.
What is the InChIKey of (3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene?
The InChIKey is FJYPPWOHBKHUSK-OUOSTHCTSA-N. The full InChI is InChI=1S/C10H11F/c1-5-8(3)7-10(6-2)9(4)11/h2,5,7H,4H2,1,3H3/b8-5-,10-7-.
What are the key properties of (3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene?
(3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene has a molecular weight of 150.20 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-ethynyl-2-fluoro-5-methylhepta-1,3,5-triene is sourced from PubChem (CID 139514120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).