1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene

C12F20 — CID 12571878

IUPAC1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene
SMILESFC(C(C(F)=C(C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F20/c13-2(5(9(21,22)23)10(24,25)26)1(4(7(15,16)17)8(18,19)20)3(14)6(11(27,28)29)12(30,31)32
InChIKeyLBGNIAIAKXGJNS-UHFFFAOYSA-N
MW524.09 g/mol
LogP8.10
Rot. Bonds2

About 1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene

1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene (PubChem CID 12571878) has the molecular formula C12F20 and a molecular weight of 524.09 g/mol. Its IUPAC name is 1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene.

Molecular Properties

Compound Name1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene
PubChem CID12571878
Molecular FormulaC12F20
Molecular Weight524.09 g/mol
Exact Mass523.97
IUPAC Name1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene
SMILESFC(C(C(F)=C(C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F20/c13-2(5(9(21,22)23)10(24,25)26)1(4(7(15,16)17)8(18,19)20)3(14)6(11(27,28)29)12(30,31)32
InChIKeyLBGNIAIAKXGJNS-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.09
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-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
(2Z,4Z)-1,1,1,2,5,6,6,6-octafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
CID 10861355
(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 1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene?
The IUPAC name of 1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene (CID 12571878) is 1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene.
What is the SMILES notation for 1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene?
The canonical SMILES for 1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene is FC(C(C(F)=C(C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene?
The InChIKey is LBGNIAIAKXGJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F20/c13-2(5(9(21,22)23)10(24,25)26)1(4(7(15,16)17)8(18,19)20)3(14)6(11(27,28)29)12(30,31)32.
What are the key properties of 1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene?
1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene has a molecular weight of 524.09 g/mol, XLogP of 8.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,5,7,7,7-octafluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-2,6-bis(trifluoromethyl)hepta-2,5-diene is sourced from PubChem (CID 12571878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).