(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene

C7H8BrF — CID 164594672

IUPAC(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
SMILESC=C(F)/C=C\C(Br)=C/C
InChIInChI=1S/C7H8BrF/c1-3-7(8)5-4-6(2)9/h3-5H,2H2,1H3/b5-4-,7-3+
InChIKeyLHTQLQGLHIGSFG-SBYNAHCQSA-N
MW191.04 g/mol
LogP3.32
Rot. Bonds2

About (3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene

(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene (PubChem CID 164594672) has the molecular formula C7H8BrF and a molecular weight of 191.04 g/mol. Its IUPAC name is (3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
PubChem CID164594672
Molecular FormulaC7H8BrF
Molecular Weight191.04 g/mol
Exact Mass189.98
IUPAC Name(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
SMILESC=C(F)/C=C\C(Br)=C/C
InChIInChI=1S/C7H8BrF/c1-3-7(8)5-4-6(2)9/h3-5H,2H2,1H3/b5-4-,7-3+
InChIKeyLHTQLQGLHIGSFG-SBYNAHCQSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.04
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-5-bromo-2-methylhepta-1,3,5-triene;ethane
CID 144637545
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CID 143485598
2-fluoro-5-methoxyhepta-1,3,5-triene
CID 123941397
2-fluoro-5-nitrosohepta-1,3,5-triene
CID 123549824
6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
CID 123639498
(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
CID 144654304
(3Z)-2-fluoro-5-methylidenedeca-1,3-diene
CID 143276668
(2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol
CID 178133361
(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
CID 142091470
(3Z,5E)-5-bromohepta-3,5-dien-2-imine
CID 156548743
2-chloroprop-2-enyl 4-bromohexa-2,4-dienoate
CID 71325950
(3Z)-2-bromopenta-1,3-diene
CID 89363869

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene (CID 164594672) is (3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene is C=C(F)/C=C\C(Br)=C/C.
What is the InChIKey of (3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene?
The InChIKey is LHTQLQGLHIGSFG-SBYNAHCQSA-N. The full InChI is InChI=1S/C7H8BrF/c1-3-7(8)5-4-6(2)9/h3-5H,2H2,1H3/b5-4-,7-3+.
What are the key properties of (3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene?
(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene has a molecular weight of 191.04 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene is sourced from PubChem (CID 164594672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).