5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene

C6H4F6 — CID 23235213

IUPAC5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene
SMILESC=CC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F6/c1-2-3-4(5(7,8)9)6(10,11)12/h2-3H,1H2
InChIKeyWWAKYXYJMRXUKE-UHFFFAOYSA-N
MW190.09 g/mol
LogP3.22
Rot. Bonds1

About 5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene

5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene (PubChem CID 23235213) has the molecular formula C6H4F6 and a molecular weight of 190.09 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene.

Molecular Properties

Compound Name5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene
PubChem CID23235213
Molecular FormulaC6H4F6
Molecular Weight190.09 g/mol
Exact Mass190.02
IUPAC Name5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene
SMILESC=CC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4F6/c1-2-3-4(5(7,8)9)6(10,11)12/h2-3H,1H2
InChIKeyWWAKYXYJMRXUKE-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 53.22
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

5,5,5-Trifluoro-1,3-pentadiene
CID 11629600
1,1,1,2,3-Pentafluoro-2,4-hexadiene
CID 85672275
(Z)-4,5,5,5-Tetrafluoro-penta-1,3-diene
CID 13862020
(2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene
CID 22239089
(3E)-4-[chloro(difluoro)methyl]-5,5,5-trifluoropenta-1,3-diene
CID 22795721
1,1,1-Trifluoro-2-methylhexa-2,4-diene
CID 53715758
1,1,1-Trifluoro-5-methylhexa-2,4-diene
CID 53773309
5,5,5-Trifluoropenta-1,3-diene
CID 53806638
4-[Chloro(difluoro)methyl]-5,5,5-trifluoropenta-1,3-diene
CID 54428585
4,6,6,6-Tetrafluorohexa-1,2,4-triene
CID 57026874
3-Ethenyl-2,4,5,5,5-pentafluoropenta-1,3-diene
CID 57060343
4,5,5,5-Tetrafluoropenta-1,3-diene
CID 57144953

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene?
The IUPAC name of 5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene (CID 23235213) is 5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene.
What is the SMILES notation for 5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene?
The canonical SMILES for 5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene is C=CC=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene?
The InChIKey is WWAKYXYJMRXUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6/c1-2-3-4(5(7,8)9)6(10,11)12/h2-3H,1H2.
What are the key properties of 5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene?
5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene has a molecular weight of 190.09 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-(trifluoromethyl)penta-1,3-diene is sourced from PubChem (CID 23235213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).