(2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol

C7H8BrFO — CID 178133361

IUPAC(2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol
SMILESC=C(F)/C=C(Br)\C(O)=C/C
InChIInChI=1S/C7H8BrFO/c1-3-7(10)6(8)4-5(2)9/h3-4,10H,2H2,1H3/b6-4+,7-3+
InChIKeyONKWZBOMXBGTPD-DVFLZCIWSA-N
MW207.04 g/mol
LogP3.21
Rot. Bonds2

About (2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol

(2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol (PubChem CID 178133361) has the molecular formula C7H8BrFO and a molecular weight of 207.04 g/mol. Its IUPAC name is (2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol.

Molecular Properties

Compound Name(2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol
PubChem CID178133361
Molecular FormulaC7H8BrFO
Molecular Weight207.04 g/mol
Exact Mass205.97
IUPAC Name(2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol
SMILESC=C(F)/C=C(Br)\C(O)=C/C
InChIInChI=1S/C7H8BrFO/c1-3-7(10)6(8)4-5(2)9/h3-4,10H,2H2,1H3/b6-4+,7-3+
InChIKeyONKWZBOMXBGTPD-DVFLZCIWSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.04
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
(3Z,5Z)-4-methylhepta-1,3,5-triene-2,5-diol
CID 122535316
(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,7Z)-2-fluoro-4,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 145480540
(3E,5Z)-2,4-difluoro-5-propan-2-ylhepta-1,3,5-triene
CID 89217781
(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
CID 142091470
(3Z)-2-fluoro-4-methyl-5-methylidenehepta-1,3-diene
CID 169164324
(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene
CID 118964187
(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene
CID 149203613
(3E)-3-bromo-5-methylhexa-1,3,5-trien-2-ol;ethane
CID 143693486
2-(1-bromo-3-fluorobuta-1,3-dienyl)oxirane
CID 174031147

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol?
The IUPAC name of (2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol (CID 178133361) is (2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol.
What is the SMILES notation for (2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol?
The canonical SMILES for (2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol is C=C(F)/C=C(Br)\C(O)=C/C.
What is the InChIKey of (2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol?
The InChIKey is ONKWZBOMXBGTPD-DVFLZCIWSA-N. The full InChI is InChI=1S/C7H8BrFO/c1-3-7(10)6(8)4-5(2)9/h3-4,10H,2H2,1H3/b6-4+,7-3+.
What are the key properties of (2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol?
(2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol has a molecular weight of 207.04 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol is sourced from PubChem (CID 178133361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).