1-fluoronon-2-yne

C9H15F — CID 141421435

IUPAC1-fluoronon-2-yne
SMILESCCCCCCC#CCF
InChIInChI=1S/C9H15F/c1-2-3-4-5-6-7-8-9-10/h2-6,9H2,1H3
InChIKeyPWELURMUGWOHBK-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.93
Rot. Bonds4

About 1-fluoronon-2-yne

1-fluoronon-2-yne (PubChem CID 141421435) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is 1-fluoronon-2-yne.

Molecular Properties

Compound Name1-fluoronon-2-yne
PubChem CID141421435
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name1-fluoronon-2-yne
SMILESCCCCCCC#CCF
InChIInChI=1S/C9H15F/c1-2-3-4-5-6-7-8-9-10/h2-6,9H2,1H3
InChIKeyPWELURMUGWOHBK-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.93
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 1-fluoronon-2-yne?
The IUPAC name of 1-fluoronon-2-yne (CID 141421435) is 1-fluoronon-2-yne.
What is the SMILES notation for 1-fluoronon-2-yne?
The canonical SMILES for 1-fluoronon-2-yne is CCCCCCC#CCF.
What is the InChIKey of 1-fluoronon-2-yne?
The InChIKey is PWELURMUGWOHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F/c1-2-3-4-5-6-7-8-9-10/h2-6,9H2,1H3.
What are the key properties of 1-fluoronon-2-yne?
1-fluoronon-2-yne has a molecular weight of 142.22 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoronon-2-yne is sourced from PubChem (CID 141421435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).