(2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene

C8F14 — CID 10861355

IUPAC(2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
SMILESF/C(=C(C(=C(/F)C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F14/c9-3(7(17,18)19)1(5(11,12)13)2(6(14,15)16)4(10)8(20,21)22/b3-1-,4-2-
InChIKeyADIKAOUBGWNCJR-CCAGOZQPSA-N
MW362.06 g/mol
LogP5.68
Rot. Bonds1

About (2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene

(2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene (PubChem CID 10861355) has the molecular formula C8F14 and a molecular weight of 362.06 g/mol. Its IUPAC name is (2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
PubChem CID10861355
Molecular FormulaC8F14
Molecular Weight362.06 g/mol
Exact Mass361.98
IUPAC Name(2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
SMILESF/C(=C(C(=C(/F)C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F14/c9-3(7(17,18)19)1(5(11,12)13)2(6(14,15)16)4(10)8(20,21)22/b3-1-,4-2-
InChIKeyADIKAOUBGWNCJR-CCAGOZQPSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.06
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene with MolForge

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Related Compounds

Perfluoro(2-methyl-2-pentene)
CID 74105
4-(Difluoromethylidene)-2,3,3-trifluoro-1-(trifluoromethyl)cyclobutene
CID 593451
Perfluoromethyl(diisopropyl) ethylene
CID 54050815
Perfluoro-(2-isobutenyl-1,1,4,4-tetramethyl-1,3-butadiene)
CID 12571878
(3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene
CID 12708033
2-Pentene, 1,1,1,3,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-
CID 10970150
(E)-3-(Trifluoromethyl)nonafluoro-2-pentene
CID 13033398
Perfluoro-3,4-dimethylhexa-2,4-diene
CID 53636963
Perfluoro-3-methyl-2-pentene
CID 53733725
Perfluorohexadiene
CID 54085414
1,1,1,2,2,5,5,6,6,6-Decafluoro-3,4-bis(trifluoromethyl)hex-3-ene
CID 54539248
1,2,3,4-Tetrakis(trifluoromethyl)cyclobuta-1,3-diene
CID 71442407

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene?
The IUPAC name of (2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene (CID 10861355) is (2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene.
What is the SMILES notation for (2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene?
The canonical SMILES for (2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene is F/C(=C(C(=C(/F)C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene?
The InChIKey is ADIKAOUBGWNCJR-CCAGOZQPSA-N. The full InChI is InChI=1S/C8F14/c9-3(7(17,18)19)1(5(11,12)13)2(6(14,15)16)4(10)8(20,21)22/b3-1-,4-2-.
What are the key properties of (2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene?
(2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene has a molecular weight of 362.06 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene is sourced from PubChem (CID 10861355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).