(3E,5E)-4,6-difluorohepta-1,3,5-triene

C7H8F2 — CID 142874217

IUPAC(3E,5E)-4,6-difluorohepta-1,3,5-triene
SMILESC=C/C=C(F)\C=C(/C)F
InChIInChI=1S/C7H8F2/c1-3-4-7(9)5-6(2)8/h3-5H,1H2,2H3/b6-5+,7-4+
InChIKeyNWXNRHVNDDWPDT-HVUXDCMCSA-N
MW130.14 g/mol
LogP2.90
Rot. Bonds2

About (3E,5E)-4,6-difluorohepta-1,3,5-triene

(3E,5E)-4,6-difluorohepta-1,3,5-triene (PubChem CID 142874217) has the molecular formula C7H8F2 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3E,5E)-4,6-difluorohepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-4,6-difluorohepta-1,3,5-triene
PubChem CID142874217
Molecular FormulaC7H8F2
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3E,5E)-4,6-difluorohepta-1,3,5-triene
SMILESC=C/C=C(F)\C=C(/C)F
InChIInChI=1S/C7H8F2/c1-3-4-7(9)5-6(2)8/h3-5H,1H2,2H3/b6-5+,7-4+
InChIKeyNWXNRHVNDDWPDT-HVUXDCMCSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3E,5E)-4,6-difluorohepta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5E)-3,6-difluorohepta-1,3,5-triene
CID 126636482
(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene
CID 118964187
(4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene
CID 138723097
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
(3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 142839788
5-[(2E,4E)-4-fluorohepta-2,4,6-trien-2-yl]oxypentane-2,2-diol
CID 143638124
ethane;(3Z)-2-fluoro-3-methylhexa-1,3,5-triene
CID 143773751
(3E)-4-fluorohexa-1,3-diene
CID 88586520
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(2E,4E)-2-fluoro-4-methylhexa-2,4-diene
CID 143698072
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257
(E)-N'-ethenyl-3-fluorobut-2-enimidamide
CID 142337031

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4,6-difluorohepta-1,3,5-triene?
The IUPAC name of (3E,5E)-4,6-difluorohepta-1,3,5-triene (CID 142874217) is (3E,5E)-4,6-difluorohepta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-4,6-difluorohepta-1,3,5-triene?
The canonical SMILES for (3E,5E)-4,6-difluorohepta-1,3,5-triene is C=C/C=C(F)\C=C(/C)F.
What is the InChIKey of (3E,5E)-4,6-difluorohepta-1,3,5-triene?
The InChIKey is NWXNRHVNDDWPDT-HVUXDCMCSA-N. The full InChI is InChI=1S/C7H8F2/c1-3-4-7(9)5-6(2)8/h3-5H,1H2,2H3/b6-5+,7-4+.
What are the key properties of (3E,5E)-4,6-difluorohepta-1,3,5-triene?
(3E,5E)-4,6-difluorohepta-1,3,5-triene has a molecular weight of 130.14 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4,6-difluorohepta-1,3,5-triene is sourced from PubChem (CID 142874217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).