(4E)-4,5,6,6,6-pentafluorohexa-1,4-diene

C6H5F5 — CID 2778713

IUPAC(4E)-4,5,6,6,6-pentafluorohexa-1,4-diene
SMILESC=CC/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C6H5F5/c1-2-3-4(7)5(8)6(9,10)11/h2H,1,3H2/b5-4+
InChIKeyIOOHISQINKOYHP-SNAWJCMRSA-N
MW172.10 g/mol
LogP3.28
Rot. Bonds2

About (4E)-4,5,6,6,6-pentafluorohexa-1,4-diene

(4E)-4,5,6,6,6-pentafluorohexa-1,4-diene (PubChem CID 2778713) has the molecular formula C6H5F5 and a molecular weight of 172.10 g/mol. Its IUPAC name is (4E)-4,5,6,6,6-pentafluorohexa-1,4-diene.

Molecular Properties

Compound Name(4E)-4,5,6,6,6-pentafluorohexa-1,4-diene
PubChem CID2778713
Molecular FormulaC6H5F5
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name(4E)-4,5,6,6,6-pentafluorohexa-1,4-diene
SMILESC=CC/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C6H5F5/c1-2-3-4(7)5(8)6(9,10)11/h2H,1,3H2/b5-4+
InChIKeyIOOHISQINKOYHP-SNAWJCMRSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1,1,2,2,5,5,6,6,6-Decafluoro-3-hexene (HFO-153-10mczz-E)
CID 19780784
(2E)-1,1,1,4,4,5,5,6,6,6-Decafluorohex-2-ene
CID 12951081
1-Propenylperfluoropropane
CID 2774912
(2E)-4,4,5,5,6,6,6-Heptafluorohex-2-ene
CID 5708518
1,1,1,2,2,5,5,6,6,7,7,7-Dodecafluorohept-3-ene
CID 76545605
5,6,6,7,7,7-Hexafluoro-4-(trifluoromethyl)-1,4-heptadiene
CID 3019663
5,5,6,6,7,7,7-Heptafluorohept-3-ene
CID 138396277
1,1,1,2,2,3,3-Heptafluorooct-4-ene
CID 138396278
1,1,1,4,4,5,5,6,6,6-Decafluorohex-2-ene
CID 73177908
3,3,6-Trifluoro-1,4-cyclohexadiene
CID 12676454
3,3,6,6-Tetrafluorocyclohexa-1,4-diene
CID 12676455
5,5,6,6-Tetrafluoro-1,3-cyclohexadiene
CID 12676459

Frequently Asked Questions

What is the IUPAC name of (4E)-4,5,6,6,6-pentafluorohexa-1,4-diene?
The IUPAC name of (4E)-4,5,6,6,6-pentafluorohexa-1,4-diene (CID 2778713) is (4E)-4,5,6,6,6-pentafluorohexa-1,4-diene.
What is the SMILES notation for (4E)-4,5,6,6,6-pentafluorohexa-1,4-diene?
The canonical SMILES for (4E)-4,5,6,6,6-pentafluorohexa-1,4-diene is C=CC/C(F)=C(\F)C(F)(F)F.
What is the InChIKey of (4E)-4,5,6,6,6-pentafluorohexa-1,4-diene?
The InChIKey is IOOHISQINKOYHP-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H5F5/c1-2-3-4(7)5(8)6(9,10)11/h2H,1,3H2/b5-4+.
What are the key properties of (4E)-4,5,6,6,6-pentafluorohexa-1,4-diene?
(4E)-4,5,6,6,6-pentafluorohexa-1,4-diene has a molecular weight of 172.10 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4,5,6,6,6-pentafluorohexa-1,4-diene is sourced from PubChem (CID 2778713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).