(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene

C7H8BrF — CID 142091470

IUPAC(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
SMILESC=C(Br)/C=C(F)\C=C/C
InChIInChI=1S/C7H8BrF/c1-3-4-7(9)5-6(2)8/h3-5H,2H2,1H3/b4-3-,7-5+
InChIKeyGTSRQVWLWKOREI-QVXLNCAUSA-N
MW191.04 g/mol
LogP3.32
Rot. Bonds2

About (3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene

(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene (PubChem CID 142091470) has the molecular formula C7H8BrF and a molecular weight of 191.04 g/mol. Its IUPAC name is (3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
PubChem CID142091470
Molecular FormulaC7H8BrF
Molecular Weight191.04 g/mol
Exact Mass189.98
IUPAC Name(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
SMILESC=C(Br)/C=C(F)\C=C/C
InChIInChI=1S/C7H8BrF/c1-3-4-7(9)5-6(2)8/h3-5H,2H2,1H3/b4-3-,7-5+
InChIKeyGTSRQVWLWKOREI-QVXLNCAUSA-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

(3E,5Z)-2,4-dibromohepta-1,3,5-triene
CID 156818612
(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene
CID 89381383
(3Z)-2-bromopenta-1,3-diene
CID 89363869
ethene;(2E,4Z)-3-fluorohexa-2,4-diene
CID 143779998
(4Z)-1,1-difluoro-3-methylidenehexa-1,4-diene
CID 144675274
2-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]sulfonyl-N,N-dimethylethanamine
CID 163853555
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889
(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
CID 164594672
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
(3Z)-5-bromo-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 143571697
(Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile
CID 146260017
(2E)-4-bromo-N-tert-butylsulfanyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine;ethane
CID 171086406

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene (CID 142091470) is (3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene is C=C(Br)/C=C(F)\C=C/C.
What is the InChIKey of (3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene?
The InChIKey is GTSRQVWLWKOREI-QVXLNCAUSA-N. The full InChI is InChI=1S/C7H8BrF/c1-3-4-7(9)5-6(2)8/h3-5H,2H2,1H3/b4-3-,7-5+.
What are the key properties of (3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene?
(3E,5Z)-2-bromo-4-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 (3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene is sourced from PubChem (CID 142091470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).