1-chloro-1-fluoronon-2-yne

C9H14ClF — CID 11658373

IUPAC1-chloro-1-fluoronon-2-yne
SMILESCCCCCCC#CC(F)Cl
InChIInChI=1S/C9H14ClF/c1-2-3-4-5-6-7-8-9(10)11/h9H,2-6H2,1H3
InChIKeyXLVYVJBZBZPXIG-UHFFFAOYSA-N
MW176.66 g/mol
LogP3.49
Rot. Bonds4

About 1-chloro-1-fluoronon-2-yne

1-chloro-1-fluoronon-2-yne (PubChem CID 11658373) has the molecular formula C9H14ClF and a molecular weight of 176.66 g/mol. Its IUPAC name is 1-chloro-1-fluoronon-2-yne.

Molecular Properties

Compound Name1-chloro-1-fluoronon-2-yne
PubChem CID11658373
Molecular FormulaC9H14ClF
Molecular Weight176.66 g/mol
Exact Mass176.08
IUPAC Name1-chloro-1-fluoronon-2-yne
SMILESCCCCCCC#CC(F)Cl
InChIInChI=1S/C9H14ClF/c1-2-3-4-5-6-7-8-9(10)11/h9H,2-6H2,1H3
InChIKeyXLVYVJBZBZPXIG-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.66
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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non-3-yn-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-fluoronon-2-yne?
The IUPAC name of 1-chloro-1-fluoronon-2-yne (CID 11658373) is 1-chloro-1-fluoronon-2-yne.
What is the SMILES notation for 1-chloro-1-fluoronon-2-yne?
The canonical SMILES for 1-chloro-1-fluoronon-2-yne is CCCCCCC#CC(F)Cl.
What is the InChIKey of 1-chloro-1-fluoronon-2-yne?
The InChIKey is XLVYVJBZBZPXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF/c1-2-3-4-5-6-7-8-9(10)11/h9H,2-6H2,1H3.
What are the key properties of 1-chloro-1-fluoronon-2-yne?
1-chloro-1-fluoronon-2-yne has a molecular weight of 176.66 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-fluoronon-2-yne is sourced from PubChem (CID 11658373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).