(4R)-1,1-difluorooct-2-yn-4-ol

C8H12F2O — CID 11744945

IUPAC(4R)-1,1-difluorooct-2-yn-4-ol
SMILESCCCC[C@@H](O)C#CC(F)F
InChIInChI=1S/C8H12F2O/c1-2-3-4-7(11)5-6-8(9)10/h7-8,11H,2-4H2,1H3/t7-/m1/s1
InChIKeyABEJCCWEUYTUTL-SSDOTTSWSA-N
MW162.18 g/mol
LogP1.81
Rot. Bonds3

About (4R)-1,1-difluorooct-2-yn-4-ol

(4R)-1,1-difluorooct-2-yn-4-ol (PubChem CID 11744945) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is (4R)-1,1-difluorooct-2-yn-4-ol.

Molecular Properties

Compound Name(4R)-1,1-difluorooct-2-yn-4-ol
PubChem CID11744945
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(4R)-1,1-difluorooct-2-yn-4-ol
SMILESCCCC[C@@H](O)C#CC(F)F
InChIInChI=1S/C8H12F2O/c1-2-3-4-7(11)5-6-8(9)10/h7-8,11H,2-4H2,1H3/t7-/m1/s1
InChIKeyABEJCCWEUYTUTL-SSDOTTSWSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.81
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 (4R)-1,1-difluorooct-2-yn-4-ol?
The IUPAC name of (4R)-1,1-difluorooct-2-yn-4-ol (CID 11744945) is (4R)-1,1-difluorooct-2-yn-4-ol.
What is the SMILES notation for (4R)-1,1-difluorooct-2-yn-4-ol?
The canonical SMILES for (4R)-1,1-difluorooct-2-yn-4-ol is CCCC[C@@H](O)C#CC(F)F.
What is the InChIKey of (4R)-1,1-difluorooct-2-yn-4-ol?
The InChIKey is ABEJCCWEUYTUTL-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12F2O/c1-2-3-4-7(11)5-6-8(9)10/h7-8,11H,2-4H2,1H3/t7-/m1/s1.
What are the key properties of (4R)-1,1-difluorooct-2-yn-4-ol?
(4R)-1,1-difluorooct-2-yn-4-ol has a molecular weight of 162.18 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,1-difluorooct-2-yn-4-ol is sourced from PubChem (CID 11744945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).