7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol

C8H8F2O — CID 86245847

IUPAC7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol
SMILESCC(C#CC=CCO)=C(F)F
InChIInChI=1S/C8H8F2O/c1-7(8(9)10)5-3-2-4-6-11/h2,4,11H,6H2,1H3
InChIKeyIDSIPIZQAZJCQT-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.71
Rot. Bonds1

About 7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol

7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol (PubChem CID 86245847) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is 7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol.

Molecular Properties

Compound Name7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol
PubChem CID86245847
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Name7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol
SMILESCC(C#CC=CCO)=C(F)F
InChIInChI=1S/C8H8F2O/c1-7(8(9)10)5-3-2-4-6-11/h2,4,11H,6H2,1H3
InChIKeyIDSIPIZQAZJCQT-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol?
The IUPAC name of 7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol (CID 86245847) is 7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol.
What is the SMILES notation for 7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol?
The canonical SMILES for 7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol is CC(C#CC=CCO)=C(F)F.
What is the InChIKey of 7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol?
The InChIKey is IDSIPIZQAZJCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O/c1-7(8(9)10)5-3-2-4-6-11/h2,4,11H,6H2,1H3.
What are the key properties of 7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol?
7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol has a molecular weight of 158.15 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-6-methylhepta-2,6-dien-4-yn-1-ol is sourced from PubChem (CID 86245847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).