ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol

C14H26F2O — CID 164919357

IUPACethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol
SMILESC=C/C(=C\C=C/C)C(F)(F)C(C)O.CC.CC
InChIInChI=1S/C10H14F2O.2C2H6/c1-4-6-7-9(5-2)10(11,12)8(3)13;2*1-2/h4-8,13H,2H2,1,3H3;2*1-2H3/b6-4-,9-7+;;
InChIKeyBCOFHFKITKAPDJ-XCXFXZFTSA-N
MW248.36 g/mol
LogP4.74
Rot. Bonds4

About ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol

ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol (PubChem CID 164919357) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol.

Molecular Properties

Compound Nameethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol
PubChem CID164919357
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Nameethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol
SMILESC=C/C(=C\C=C/C)C(F)(F)C(C)O.CC.CC
InChIInChI=1S/C10H14F2O.2C2H6/c1-4-6-7-9(5-2)10(11,12)8(3)13;2*1-2/h4-8,13H,2H2,1,3H3;2*1-2H3/b6-4-,9-7+;;
InChIKeyBCOFHFKITKAPDJ-XCXFXZFTSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol?
The IUPAC name of ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol (CID 164919357) is ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol.
What is the SMILES notation for ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol?
The canonical SMILES for ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol is C=C/C(=C\C=C/C)C(F)(F)C(C)O.CC.CC.
What is the InChIKey of ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol?
The InChIKey is BCOFHFKITKAPDJ-XCXFXZFTSA-N. The full InChI is InChI=1S/C10H14F2O.2C2H6/c1-4-6-7-9(5-2)10(11,12)8(3)13;2*1-2/h4-8,13H,2H2,1,3H3;2*1-2H3/b6-4-,9-7+;;.
What are the key properties of ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol?
ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol has a molecular weight of 248.36 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,6Z)-4-ethenyl-3,3-difluoroocta-4,6-dien-2-ol is sourced from PubChem (CID 164919357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).