(3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene

C7F12 — CID 12708033

IUPAC(3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene
SMILESFC(F)=C(/C(=C(/F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F12/c8-3(7(17,18)19)1(5(11,12)13)2(4(9)10)6(14,15)16/b3-1-
InChIKeyLPXQKGXQHRSWIR-IWQZZHSRSA-N
MW312.05 g/mol
LogP5.05
Rot. Bonds1

About (3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene

(3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene (PubChem CID 12708033) has the molecular formula C7F12 and a molecular weight of 312.05 g/mol. Its IUPAC name is (3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene.

Molecular Properties

Compound Name(3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene
PubChem CID12708033
Molecular FormulaC7F12
Molecular Weight312.05 g/mol
Exact Mass311.98
IUPAC Name(3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene
SMILESFC(F)=C(/C(=C(/F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F12/c8-3(7(17,18)19)1(5(11,12)13)2(4(9)10)6(14,15)16/b3-1-
InChIKeyLPXQKGXQHRSWIR-IWQZZHSRSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.05
LogP ≤ 55.05
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

Perfluoro(2-methyl-2-pentene)
CID 74105
1,1,1,2,3,4,5,5,5(Or1,1,1,3,4,4,5,5,5)-nonafluoro-4(or2)-(trifluoromethyl)pent-2-ene
CID 2776241
4-(Difluoromethylidene)-2,3,3-trifluoro-1-(trifluoromethyl)cyclobutene
CID 593451
Perfluoro-4-methyl-2-pentene
CID 3484542
2-Pentene, 1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)-, (Z)-
CID 11012007
Hexafluorocyclopentadiene
CID 580208
(2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
CID 10861355
Perfluoro-(2-isobutenyl-1,1,4,4-tetramethyl-1,3-butadiene)
CID 12571878
Cesium 1,1,1,3,5,5,5-heptafluoro-2,4-bis(trifluoromethyl)pent-2-ene
CID 12702819
2-Pentene, 1,1,1,3,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-
CID 10970150
Perfluoro-2-methyl-2-hexene
CID 11233394
(E)-3-(Trifluoromethyl)nonafluoro-2-pentene
CID 13033398

Frequently Asked Questions

What is the IUPAC name of (3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene?
The IUPAC name of (3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene (CID 12708033) is (3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene.
What is the SMILES notation for (3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene?
The canonical SMILES for (3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene is FC(F)=C(/C(=C(/F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene?
The InChIKey is LPXQKGXQHRSWIR-IWQZZHSRSA-N. The full InChI is InChI=1S/C7F12/c8-3(7(17,18)19)1(5(11,12)13)2(4(9)10)6(14,15)16/b3-1-.
What are the key properties of (3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene?
(3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene has a molecular weight of 312.05 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1,1,4,5,5,5-hexafluoro-2,3-bis(trifluoromethyl)penta-1,3-diene is sourced from PubChem (CID 12708033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).