3-fluoronon-1-yne

C9H15F — CID 54382016

IUPAC3-fluoronon-1-yne
SMILESC#CC(F)CCCCCC
InChIInChI=1S/C9H15F/c1-3-5-6-7-8-9(10)4-2/h2,9H,3,5-8H2,1H3
InChIKeyQRWMGVCFHMBPPQ-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.93
Rot. Bonds5

About 3-fluoronon-1-yne

3-fluoronon-1-yne (PubChem CID 54382016) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is 3-fluoronon-1-yne.

Molecular Properties

Compound Name3-fluoronon-1-yne
PubChem CID54382016
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name3-fluoronon-1-yne
SMILESC#CC(F)CCCCCC
InChIInChI=1S/C9H15F/c1-3-5-6-7-8-9(10)4-2/h2,9H,3,5-8H2,1H3
InChIKeyQRWMGVCFHMBPPQ-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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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Related Compounds

1-Decyne
CID 12997
1-Octyne
CID 12370
1-Nonyne
CID 18937
1-Undecyne
CID 75249
1-Dodecyne
CID 69821
1-Tetradecyne
CID 69823
1-Pentadecyne
CID 69825
1-Tridecyne
CID 117754
1,9-Decadiyne
CID 74400
1-Nonyne, 9-fluoro-
CID 10030
1-Octyne, 8-fluoro-
CID 9854
3-Fluorooct-1-yne
CID 14077245

Frequently Asked Questions

What is the IUPAC name of 3-fluoronon-1-yne?
The IUPAC name of 3-fluoronon-1-yne (CID 54382016) is 3-fluoronon-1-yne.
What is the SMILES notation for 3-fluoronon-1-yne?
The canonical SMILES for 3-fluoronon-1-yne is C#CC(F)CCCCCC.
What is the InChIKey of 3-fluoronon-1-yne?
The InChIKey is QRWMGVCFHMBPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F/c1-3-5-6-7-8-9(10)4-2/h2,9H,3,5-8H2,1H3.
What are the key properties of 3-fluoronon-1-yne?
3-fluoronon-1-yne has a molecular weight of 142.22 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoronon-1-yne is sourced from PubChem (CID 54382016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).