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

C7H8BrF — CID 142332735

IUPAC(3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene
SMILESC=C/C=C(F)\C(Br)=C/C
InChIInChI=1S/C7H8BrF/c1-3-5-7(9)6(8)4-2/h3-5H,1H2,2H3/b6-4+,7-5+
InChIKeyGNNDRKVSILWRNM-YDFGWWAZSA-N
MW191.04 g/mol
LogP3.32
Rot. Bonds2

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

(3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene (PubChem CID 142332735) has the molecular formula C7H8BrF and a molecular weight of 191.04 g/mol. Its IUPAC name is (3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene
PubChem CID142332735
Molecular FormulaC7H8BrF
Molecular Weight191.04 g/mol
Exact Mass189.98
IUPAC Name(3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene
SMILESC=C/C=C(F)\C(Br)=C/C
InChIInChI=1S/C7H8BrF/c1-3-5-7(9)6(8)4-2/h3-5H,1H2,2H3/b6-4+,7-5+
InChIKeyGNNDRKVSILWRNM-YDFGWWAZSA-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,5E)-5-bromo-4-fluoro-2-methylhepta-1,3,5-triene
CID 88853657
(2E)-2-bromo-N-methylpenta-2,4-dienimidoyl fluoride
CID 143998340
(2Z,3E)-2-ethylidene-3-fluorohexa-3,5-dienoic acid
CID 143656480
(2E,4E)-4-bromohepta-2,4,6-trien-3-amine
CID 135198890
(Z)-N-[(1E)-1-bromobuta-1,3-dienyl]ethanimine;ethane
CID 143004877
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane
CID 143124692
ethane;(2Z,3E)-3-fluoro-2-prop-2-enylidenehexa-3,5-dienenitrile
CID 143563021
(3E)-3-fluoro-2-methylidenehexa-3,5-dienal
CID 142607987
ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne
CID 145351240
(3Z,6E)-6-fluoro-4-methyl-5-methylidenenona-3,6,8-trien-2-one;molecular hydrogen
CID 163264892
molecular fluorine;prop-1-ene
CID 173099849

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene?
The IUPAC name of (3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene (CID 142332735) is (3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene?
The canonical SMILES for (3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene is C=C/C=C(F)\C(Br)=C/C.
What is the InChIKey of (3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene?
The InChIKey is GNNDRKVSILWRNM-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H8BrF/c1-3-5-7(9)6(8)4-2/h3-5H,1H2,2H3/b6-4+,7-5+.
What are the key properties of (3E,5E)-5-bromo-4-fluorohepta-1,3,5-triene?
(3E,5E)-5-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,5E)-5-bromo-4-fluorohepta-1,3,5-triene is sourced from PubChem (CID 142332735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).