(E)-4,4-difluorooct-6-en-1-yn-3-ol

C8H10F2O — CID 56961957

IUPAC(E)-4,4-difluorooct-6-en-1-yn-3-ol
SMILESC#CC(O)C(F)(F)C/C=C/C
InChIInChI=1S/C8H10F2O/c1-3-5-6-8(9,10)7(11)4-2/h2-3,5,7,11H,6H2,1H3/b5-3+
InChIKeyQRVKRRTZDRXBHK-HWKANZROSA-N
MW160.16 g/mol
LogP1.58
Rot. Bonds3

About (E)-4,4-difluorooct-6-en-1-yn-3-ol

(E)-4,4-difluorooct-6-en-1-yn-3-ol (PubChem CID 56961957) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is (E)-4,4-difluorooct-6-en-1-yn-3-ol.

Molecular Properties

Compound Name(E)-4,4-difluorooct-6-en-1-yn-3-ol
PubChem CID56961957
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name(E)-4,4-difluorooct-6-en-1-yn-3-ol
SMILESC#CC(O)C(F)(F)C/C=C/C
InChIInChI=1S/C8H10F2O/c1-3-5-6-8(9,10)7(11)4-2/h2-3,5,7,11H,6H2,1H3/b5-3+
InChIKeyQRVKRRTZDRXBHK-HWKANZROSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4-difluorooct-6-en-1-yn-3-ol?
The IUPAC name of (E)-4,4-difluorooct-6-en-1-yn-3-ol (CID 56961957) is (E)-4,4-difluorooct-6-en-1-yn-3-ol.
What is the SMILES notation for (E)-4,4-difluorooct-6-en-1-yn-3-ol?
The canonical SMILES for (E)-4,4-difluorooct-6-en-1-yn-3-ol is C#CC(O)C(F)(F)C/C=C/C.
What is the InChIKey of (E)-4,4-difluorooct-6-en-1-yn-3-ol?
The InChIKey is QRVKRRTZDRXBHK-HWKANZROSA-N. The full InChI is InChI=1S/C8H10F2O/c1-3-5-6-8(9,10)7(11)4-2/h2-3,5,7,11H,6H2,1H3/b5-3+.
What are the key properties of (E)-4,4-difluorooct-6-en-1-yn-3-ol?
(E)-4,4-difluorooct-6-en-1-yn-3-ol has a molecular weight of 160.16 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-difluorooct-6-en-1-yn-3-ol is sourced from PubChem (CID 56961957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).