(2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol

C7H8F2O — CID 88877969

IUPAC(2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol
SMILESC=C(F)/C=C\C(O)=C/CF
InChIInChI=1S/C7H8F2O/c1-6(9)2-3-7(10)4-5-8/h2-4,10H,1,5H2/b3-2-,7-4+
InChIKeySHPABKXMAOZLQU-UDJLOATDSA-N
MW146.14 g/mol
LogP2.44
Rot. Bonds3

About (2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol

(2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol (PubChem CID 88877969) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is (2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol.

Molecular Properties

Compound Name(2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol
PubChem CID88877969
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name(2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol
SMILESC=C(F)/C=C\C(O)=C/CF
InChIInChI=1S/C7H8F2O/c1-6(9)2-3-7(10)4-5-8/h2-4,10H,1,5H2/b3-2-,7-4+
InChIKeySHPABKXMAOZLQU-UDJLOATDSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 52.44
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

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1,3-difluorobut-2-ene
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(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
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CID 142308296

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol?
The IUPAC name of (2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol (CID 88877969) is (2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol.
What is the SMILES notation for (2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol?
The canonical SMILES for (2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol is C=C(F)/C=C\C(O)=C/CF.
What is the InChIKey of (2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol?
The InChIKey is SHPABKXMAOZLQU-UDJLOATDSA-N. The full InChI is InChI=1S/C7H8F2O/c1-6(9)2-3-7(10)4-5-8/h2-4,10H,1,5H2/b3-2-,7-4+.
What are the key properties of (2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol?
(2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol has a molecular weight of 146.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1,6-difluorohepta-2,4,6-trien-3-ol is sourced from PubChem (CID 88877969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).