(3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene

C8H10BrF — CID 145071618

IUPAC(3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene
SMILESC=C(F)/C=C\C(=C)CCBr
InChIInChI=1S/C8H10BrF/c1-7(5-6-9)3-4-8(2)10/h3-4H,1-2,5-6H2/b4-3-
InChIKeyYQFRBPBLHZUUQB-ARJAWSKDSA-N
MW205.07 g/mol
LogP3.37
Rot. Bonds4

About (3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene

(3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene (PubChem CID 145071618) has the molecular formula C8H10BrF and a molecular weight of 205.07 g/mol. Its IUPAC name is (3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene
PubChem CID145071618
Molecular FormulaC8H10BrF
Molecular Weight205.07 g/mol
Exact Mass203.99
IUPAC Name(3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene
SMILESC=C(F)/C=C\C(=C)CCBr
InChIInChI=1S/C8H10BrF/c1-7(5-6-9)3-4-8(2)10/h3-4H,1-2,5-6H2/b4-3-
InChIKeyYQFRBPBLHZUUQB-ARJAWSKDSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene?
The IUPAC name of (3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene (CID 145071618) is (3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene.
What is the SMILES notation for (3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene?
The canonical SMILES for (3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene is C=C(F)/C=C\C(=C)CCBr.
What is the InChIKey of (3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene?
The InChIKey is YQFRBPBLHZUUQB-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H10BrF/c1-7(5-6-9)3-4-8(2)10/h3-4H,1-2,5-6H2/b4-3-.
What are the key properties of (3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene?
(3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene has a molecular weight of 205.07 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-bromo-2-fluoro-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 145071618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).