(1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene

C10H15F — CID 88915477

IUPAC(1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene
SMILESC/C=C(/C=C\C=C\F)C(C)C
InChIInChI=1S/C10H15F/c1-4-10(9(2)3)7-5-6-8-11/h4-9H,1-3H3/b7-5-,8-6+,10-4-
InChIKeyAWYVBTWIDLXTEB-ANYXXXCTSA-N
MW154.23 g/mol
LogP3.63
Rot. Bonds3

About (1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene

(1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene (PubChem CID 88915477) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is (1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene
PubChem CID88915477
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name(1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene
SMILESC/C=C(/C=C\C=C\F)C(C)C
InChIInChI=1S/C10H15F/c1-4-10(9(2)3)7-5-6-8-11/h4-9H,1-3H3/b7-5-,8-6+,10-4-
InChIKeyAWYVBTWIDLXTEB-ANYXXXCTSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene?
The IUPAC name of (1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene (CID 88915477) is (1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene is C/C=C(/C=C\C=C\F)C(C)C.
What is the InChIKey of (1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene?
The InChIKey is AWYVBTWIDLXTEB-ANYXXXCTSA-N. The full InChI is InChI=1S/C10H15F/c1-4-10(9(2)3)7-5-6-8-11/h4-9H,1-3H3/b7-5-,8-6+,10-4-.
What are the key properties of (1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene?
(1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene has a molecular weight of 154.23 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E)-1-fluoro-5-propan-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 88915477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).