(3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene

C8H10BrF — CID 164594397

IUPAC(3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene
SMILESC=C(F)/C=C\C(Br)=C(C)C
InChIInChI=1S/C8H10BrF/c1-6(2)8(9)5-4-7(3)10/h4-5H,3H2,1-2H3/b5-4-
InChIKeyPIIMFWZWABJKBZ-PLNGDYQASA-N
MW205.07 g/mol
LogP3.71
Rot. Bonds2

About (3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene

(3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene (PubChem CID 164594397) has the molecular formula C8H10BrF and a molecular weight of 205.07 g/mol. Its IUPAC name is (3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene
PubChem CID164594397
Molecular FormulaC8H10BrF
Molecular Weight205.07 g/mol
Exact Mass203.99
IUPAC Name(3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene
SMILESC=C(F)/C=C\C(Br)=C(C)C
InChIInChI=1S/C8H10BrF/c1-6(2)8(9)5-4-7(3)10/h4-5H,3H2,1-2H3/b5-4-
InChIKeyPIIMFWZWABJKBZ-PLNGDYQASA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 53.71
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 (3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene?
The IUPAC name of (3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene (CID 164594397) is (3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene is C=C(F)/C=C\C(Br)=C(C)C.
What is the InChIKey of (3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene?
The InChIKey is PIIMFWZWABJKBZ-PLNGDYQASA-N. The full InChI is InChI=1S/C8H10BrF/c1-6(2)8(9)5-4-7(3)10/h4-5H,3H2,1-2H3/b5-4-.
What are the key properties of (3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene?
(3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene has a molecular weight of 205.07 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-bromo-2-fluoro-6-methylhepta-1,3,5-triene is sourced from PubChem (CID 164594397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).