6-fluorohex-1-yne

C6H9F — CID 9762

IUPAC6-fluorohex-1-yne
SMILESC#CCCCCF
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h1H,3-6H2
InChIKeyYDUGWJMUYOGFLN-UHFFFAOYSA-N
MW100.14 g/mol
LogP1.76
Rot. Bonds3

About 6-fluorohex-1-yne

6-fluorohex-1-yne (PubChem CID 9762) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 6-fluorohex-1-yne.

Molecular Properties

Compound Name6-fluorohex-1-yne
PubChem CID9762
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name6-fluorohex-1-yne
SMILESC#CCCCCF
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h1H,3-6H2
InChIKeyYDUGWJMUYOGFLN-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 51.76
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 6-fluorohex-1-yne?
The IUPAC name of 6-fluorohex-1-yne (CID 9762) is 6-fluorohex-1-yne.
What is the SMILES notation for 6-fluorohex-1-yne?
The canonical SMILES for 6-fluorohex-1-yne is C#CCCCCF.
What is the InChIKey of 6-fluorohex-1-yne?
The InChIKey is YDUGWJMUYOGFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c1-2-3-4-5-6-7/h1H,3-6H2.
What are the key properties of 6-fluorohex-1-yne?
6-fluorohex-1-yne has a molecular weight of 100.14 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorohex-1-yne is sourced from PubChem (CID 9762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).