(3E)-2,4-difluorohexa-1,3-diene

C6H8F2 — CID 89270456

IUPAC(3E)-2,4-difluorohexa-1,3-diene
SMILESC=C(F)/C=C(/F)CC
InChIInChI=1S/C6H8F2/c1-3-6(8)4-5(2)7/h4H,2-3H2,1H3/b6-4+
InChIKeyRPJFEKKJXXXOOY-GQCTYLIASA-N
MW118.13 g/mol
LogP2.73
Rot. Bonds2

About (3E)-2,4-difluorohexa-1,3-diene

(3E)-2,4-difluorohexa-1,3-diene (PubChem CID 89270456) has the molecular formula C6H8F2 and a molecular weight of 118.13 g/mol. Its IUPAC name is (3E)-2,4-difluorohexa-1,3-diene.

Molecular Properties

Compound Name(3E)-2,4-difluorohexa-1,3-diene
PubChem CID89270456
Molecular FormulaC6H8F2
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(3E)-2,4-difluorohexa-1,3-diene
SMILESC=C(F)/C=C(/F)CC
InChIInChI=1S/C6H8F2/c1-3-6(8)4-5(2)7/h4H,2-3H2,1H3/b6-4+
InChIKeyRPJFEKKJXXXOOY-GQCTYLIASA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2,4-difluorohexa-1,3-diene?
The IUPAC name of (3E)-2,4-difluorohexa-1,3-diene (CID 89270456) is (3E)-2,4-difluorohexa-1,3-diene.
What is the SMILES notation for (3E)-2,4-difluorohexa-1,3-diene?
The canonical SMILES for (3E)-2,4-difluorohexa-1,3-diene is C=C(F)/C=C(/F)CC.
What is the InChIKey of (3E)-2,4-difluorohexa-1,3-diene?
The InChIKey is RPJFEKKJXXXOOY-GQCTYLIASA-N. The full InChI is InChI=1S/C6H8F2/c1-3-6(8)4-5(2)7/h4H,2-3H2,1H3/b6-4+.
What are the key properties of (3E)-2,4-difluorohexa-1,3-diene?
(3E)-2,4-difluorohexa-1,3-diene has a molecular weight of 118.13 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,4-difluorohexa-1,3-diene is sourced from PubChem (CID 89270456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).