3-fluoronona-1,8-diyne

C9H11F — CID 171059089

IUPAC3-fluoronona-1,8-diyne
SMILESC#CCCCCC(F)C#C
InChIInChI=1S/C9H11F/c1-3-5-6-7-8-9(10)4-2/h1-2,9H,5-8H2
InChIKeyLNBJVZFMBXTYKD-UHFFFAOYSA-N
MW138.19 g/mol
LogP2.15
Rot. Bonds4

About 3-fluoronona-1,8-diyne

3-fluoronona-1,8-diyne (PubChem CID 171059089) has the molecular formula C9H11F and a molecular weight of 138.19 g/mol. Its IUPAC name is 3-fluoronona-1,8-diyne.

Molecular Properties

Compound Name3-fluoronona-1,8-diyne
PubChem CID171059089
Molecular FormulaC9H11F
Molecular Weight138.19 g/mol
Exact Mass138.08
IUPAC Name3-fluoronona-1,8-diyne
SMILESC#CCCCCC(F)C#C
InChIInChI=1S/C9H11F/c1-3-5-6-7-8-9(10)4-2/h1-2,9H,5-8H2
InChIKeyLNBJVZFMBXTYKD-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoronona-1,8-diyne?
The IUPAC name of 3-fluoronona-1,8-diyne (CID 171059089) is 3-fluoronona-1,8-diyne.
What is the SMILES notation for 3-fluoronona-1,8-diyne?
The canonical SMILES for 3-fluoronona-1,8-diyne is C#CCCCCC(F)C#C.
What is the InChIKey of 3-fluoronona-1,8-diyne?
The InChIKey is LNBJVZFMBXTYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F/c1-3-5-6-7-8-9(10)4-2/h1-2,9H,5-8H2.
What are the key properties of 3-fluoronona-1,8-diyne?
3-fluoronona-1,8-diyne has a molecular weight of 138.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoronona-1,8-diyne is sourced from PubChem (CID 171059089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).