2,4-difluorohexa-1,3-diene

C6H8F2 — CID 140681783

IUPAC2,4-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
InChIKeyRPJFEKKJXXXOOY-UHFFFAOYSA-N
MW118.13 g/mol
LogP2.73
Rot. Bonds2

About 2,4-difluorohexa-1,3-diene

2,4-difluorohexa-1,3-diene (PubChem CID 140681783) has the molecular formula C6H8F2 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2,4-difluorohexa-1,3-diene.

Molecular Properties

Compound Name2,4-difluorohexa-1,3-diene
PubChem CID140681783
Molecular FormulaC6H8F2
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2,4-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
InChIKeyRPJFEKKJXXXOOY-UHFFFAOYSA-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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Related Compounds

(Z)-3-fluorohex-3-ene
CID 12756891
4-Methyl-2-trifluoromethylpentadiene
CID 90166011
Fluoroheptadiene
CID 129760108
(3E)-2-fluoro-1,3-heptadiene
CID 15209488
(3Z,5Z)-4-fluoronona-3,5-diene
CID 21723812
(E)-3-fluorohex-3-ene
CID 12756890
(3E)-5,5-difluorohexa-1,3-diene
CID 12757175
(3Z)-3-fluoro-2-methylpenta-1,3-diene
CID 13165649
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
1,3-Difluorocyclopenta-1,3-diene
CID 18520950
(3Z)-3-fluorohexa-1,3-diene
CID 20065290
(3E)-3-fluorohepta-1,3-diene
CID 20065292

Frequently Asked Questions

What is the IUPAC name of 2,4-difluorohexa-1,3-diene?
The IUPAC name of 2,4-difluorohexa-1,3-diene (CID 140681783) is 2,4-difluorohexa-1,3-diene.
What is the SMILES notation for 2,4-difluorohexa-1,3-diene?
The canonical SMILES for 2,4-difluorohexa-1,3-diene is C=C(F)C=C(F)CC.
What is the InChIKey of 2,4-difluorohexa-1,3-diene?
The InChIKey is RPJFEKKJXXXOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2/c1-3-6(8)4-5(2)7/h4H,2-3H2,1H3.
What are the key properties of 2,4-difluorohexa-1,3-diene?
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 2,4-difluorohexa-1,3-diene is sourced from PubChem (CID 140681783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).