1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol

C8H6F8O — CID 22186473

IUPAC1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(C(F)(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C8H6F8O/c1-2-3-6(17,8(14,15)16)7(12,13)4(9)5(10)11/h2,17H,1,3H2
InChIKeyZEERSBCGGBPZIJ-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.57
Rot. Bonds4

About 1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol

1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (PubChem CID 22186473) has the molecular formula C8H6F8O and a molecular weight of 270.12 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
PubChem CID22186473
Molecular FormulaC8H6F8O
Molecular Weight270.12 g/mol
Exact Mass270.03
IUPAC Name1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESC=CCC(O)(C(F)(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C8H6F8O/c1-2-3-6(17,8(14,15)16)7(12,13)4(9)5(10)11/h2,17H,1,3H2
InChIKeyZEERSBCGGBPZIJ-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The IUPAC name of 1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (CID 22186473) is 1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is C=CCC(O)(C(F)(F)F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The InChIKey is ZEERSBCGGBPZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F8O/c1-2-3-6(17,8(14,15)16)7(12,13)4(9)5(10)11/h2,17H,1,3H2.
What are the key properties of 1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol has a molecular weight of 270.12 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 22186473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).