6,6-difluorohex-1-yne

C6H8F2 — CID 88556811

IUPAC6,6-difluorohex-1-yne
SMILESC#CCCCC(F)F
InChIInChI=1S/C6H8F2/c1-2-3-4-5-6(7)8/h1,6H,3-5H2
InChIKeyISKMWXVLJJPSHG-UHFFFAOYSA-N
MW118.13 g/mol
LogP2.06
Rot. Bonds3

About 6,6-difluorohex-1-yne

6,6-difluorohex-1-yne (PubChem CID 88556811) has the molecular formula C6H8F2 and a molecular weight of 118.13 g/mol. Its IUPAC name is 6,6-difluorohex-1-yne.

Molecular Properties

Compound Name6,6-difluorohex-1-yne
PubChem CID88556811
Molecular FormulaC6H8F2
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name6,6-difluorohex-1-yne
SMILESC#CCCCC(F)F
InChIInChI=1S/C6H8F2/c1-2-3-4-5-6(7)8/h1,6H,3-5H2
InChIKeyISKMWXVLJJPSHG-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 52.06
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 6,6-difluorohex-1-yne?
The IUPAC name of 6,6-difluorohex-1-yne (CID 88556811) is 6,6-difluorohex-1-yne.
What is the SMILES notation for 6,6-difluorohex-1-yne?
The canonical SMILES for 6,6-difluorohex-1-yne is C#CCCCC(F)F.
What is the InChIKey of 6,6-difluorohex-1-yne?
The InChIKey is ISKMWXVLJJPSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2/c1-2-3-4-5-6(7)8/h1,6H,3-5H2.
What are the key properties of 6,6-difluorohex-1-yne?
6,6-difluorohex-1-yne has a molecular weight of 118.13 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluorohex-1-yne is sourced from PubChem (CID 88556811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).