8,8-difluoronon-1-yn-5-ol

C9H14F2O — CID 163852625

IUPAC8,8-difluoronon-1-yn-5-ol
SMILESC#CCCC(O)CCC(C)(F)F
InChIInChI=1S/C9H14F2O/c1-3-4-5-8(12)6-7-9(2,10)11/h1,8,12H,4-7H2,2H3
InChIKeyOVQQPUKWOKKWII-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.20
Rot. Bonds5

About 8,8-difluoronon-1-yn-5-ol

8,8-difluoronon-1-yn-5-ol (PubChem CID 163852625) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 8,8-difluoronon-1-yn-5-ol.

Molecular Properties

Compound Name8,8-difluoronon-1-yn-5-ol
PubChem CID163852625
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name8,8-difluoronon-1-yn-5-ol
SMILESC#CCCC(O)CCC(C)(F)F
InChIInChI=1S/C9H14F2O/c1-3-4-5-8(12)6-7-9(2,10)11/h1,8,12H,4-7H2,2H3
InChIKeyOVQQPUKWOKKWII-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.20
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 8,8-difluoronon-1-yn-5-ol?
The IUPAC name of 8,8-difluoronon-1-yn-5-ol (CID 163852625) is 8,8-difluoronon-1-yn-5-ol.
What is the SMILES notation for 8,8-difluoronon-1-yn-5-ol?
The canonical SMILES for 8,8-difluoronon-1-yn-5-ol is C#CCCC(O)CCC(C)(F)F.
What is the InChIKey of 8,8-difluoronon-1-yn-5-ol?
The InChIKey is OVQQPUKWOKKWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-3-4-5-8(12)6-7-9(2,10)11/h1,8,12H,4-7H2,2H3.
What are the key properties of 8,8-difluoronon-1-yn-5-ol?
8,8-difluoronon-1-yn-5-ol has a molecular weight of 176.21 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoronon-1-yn-5-ol is sourced from PubChem (CID 163852625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).