(7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene

C10H13BrF4 — CID 5362812

IUPAC(7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene
SMILESC=CCCCC/C=C/C(F)(F)C(F)(F)Br
InChIInChI=1S/C10H13BrF4/c1-2-3-4-5-6-7-8-9(12,13)10(11,14)15/h2,7-8H,1,3-6H2/b8-7+
InChIKeyQEBWUPAOTZARMA-BQYQJAHWSA-N
MW289.11 g/mol
LogP4.91
Rot. Bonds7

About (7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene

(7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene (PubChem CID 5362812) has the molecular formula C10H13BrF4 and a molecular weight of 289.11 g/mol. Its IUPAC name is (7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene.

Molecular Properties

Compound Name(7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene
PubChem CID5362812
Molecular FormulaC10H13BrF4
Molecular Weight289.11 g/mol
Exact Mass288.01
IUPAC Name(7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene
SMILESC=CCCCC/C=C/C(F)(F)C(F)(F)Br
InChIInChI=1S/C10H13BrF4/c1-2-3-4-5-6-7-8-9(12,13)10(11,14)15/h2,7-8H,1,3-6H2/b8-7+
InChIKeyQEBWUPAOTZARMA-BQYQJAHWSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.11
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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heptacosa-1,26-diene
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(7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene
CID 161473433
CID 135082421
CID 135082421
7-fluoro-7-methyloct-1-ene
CID 87159398
pentadeca-1,7,10-triene
CID 174048702
12,12-dimethyltrideca-1,6,10-triene
CID 144926116
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CID 149197195

Frequently Asked Questions

What is the IUPAC name of (7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene?
The IUPAC name of (7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene (CID 5362812) is (7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene.
What is the SMILES notation for (7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene?
The canonical SMILES for (7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene is C=CCCCC/C=C/C(F)(F)C(F)(F)Br.
What is the InChIKey of (7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene?
The InChIKey is QEBWUPAOTZARMA-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H13BrF4/c1-2-3-4-5-6-7-8-9(12,13)10(11,14)15/h2,7-8H,1,3-6H2/b8-7+.
What are the key properties of (7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene?
(7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene has a molecular weight of 289.11 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene is sourced from PubChem (CID 5362812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).