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

C10H3F15 — CID 11189008

IUPAC(3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene
SMILESCC(/C(C(=C(F)F)C(F)(F)F)=C(\F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H3F15/c1-6(9(20,21)22,10(23,24)25)2(4(11)8(17,18)19)3(5(12)13)7(14,15)16/h1H3/b4-2-
InChIKeyXFEFHDQWQIEPQL-RQOWECAXSA-N
MW408.10 g/mol
LogP6.62
Rot. Bonds2

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

(3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene (PubChem CID 11189008) has the molecular formula C10H3F15 and a molecular weight of 408.10 g/mol. Its IUPAC name is (3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene.

Molecular Properties

Compound Name(3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene
PubChem CID11189008
Molecular FormulaC10H3F15
Molecular Weight408.10 g/mol
Exact Mass408.00
IUPAC Name(3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene
SMILESCC(/C(C(=C(F)F)C(F)(F)F)=C(\F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H3F15/c1-6(9(20,21)22,10(23,24)25)2(4(11)8(17,18)19)3(5(12)13)7(14,15)16/h1H3/b4-2-
InChIKeyXFEFHDQWQIEPQL-RQOWECAXSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.10
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene with MolForge

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Related Compounds

(E)-1,1,1,2,3,4,5,5,5-nonafluoro-4-methylpent-2-ene;1,1,2-trifluoroprop-1-ene
CID 159475239
(E)-1,1,1,2,3,4-hexafluoro-4-methylpent-2-ene
CID 163535527
1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrofluoride
CID 162622378
1,1,1,2,5,5,5-heptafluoro-4,4-dimethyl-3-(trifluoromethyl)pent-2-ene
CID 59892543
1,1,2,3,4,4,4-heptafluoro-3-methylbut-1-ene
CID 18629941
1,1,1,2,3,4,4,4-octafluorobut-2-ene;1,1,2,3,3,4,4,4-octafluorobut-1-ene
CID 173307973
1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene
CID 173395165
zinc;1,1,2,3,3,3-hexafluoroprop-1-ene;oxygen(2-)
CID 158339432
ethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 87565664
(2Z,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
CID 15274880

Frequently Asked Questions

What is the IUPAC name of (3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene?
The IUPAC name of (3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene (CID 11189008) is (3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene.
What is the SMILES notation for (3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene?
The canonical SMILES for (3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene is CC(/C(C(=C(F)F)C(F)(F)F)=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-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene?
The InChIKey is XFEFHDQWQIEPQL-RQOWECAXSA-N. The full InChI is InChI=1S/C10H3F15/c1-6(9(20,21)22,10(23,24)25)2(4(11)8(17,18)19)3(5(12)13)7(14,15)16/h1H3/b4-2-.
What are the key properties of (3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene?
(3Z)-1,1,4,5,5,5-hexafluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene has a molecular weight of 408.10 g/mol, XLogP of 6.62, 2 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-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-(trifluoromethyl)penta-1,3-diene is sourced from PubChem (CID 11189008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).