6,6-difluoro-5-methylidenehept-1-yne

C8H10F2 — CID 155237573

IUPAC6,6-difluoro-5-methylidenehept-1-yne
SMILESC#CCCC(=C)C(C)(F)F
InChIInChI=1S/C8H10F2/c1-4-5-6-7(2)8(3,9)10/h1H,2,5-6H2,3H3
InChIKeyJOQWWXXEHZCFJC-UHFFFAOYSA-N
MW144.16 g/mol
LogP2.61
Rot. Bonds3

About 6,6-difluoro-5-methylidenehept-1-yne

6,6-difluoro-5-methylidenehept-1-yne (PubChem CID 155237573) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is 6,6-difluoro-5-methylidenehept-1-yne.

Molecular Properties

Compound Name6,6-difluoro-5-methylidenehept-1-yne
PubChem CID155237573
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name6,6-difluoro-5-methylidenehept-1-yne
SMILESC#CCCC(=C)C(C)(F)F
InChIInChI=1S/C8H10F2/c1-4-5-6-7(2)8(3,9)10/h1H,2,5-6H2,3H3
InChIKeyJOQWWXXEHZCFJC-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-difluoro-5-methylidenehept-1-yne?
The IUPAC name of 6,6-difluoro-5-methylidenehept-1-yne (CID 155237573) is 6,6-difluoro-5-methylidenehept-1-yne.
What is the SMILES notation for 6,6-difluoro-5-methylidenehept-1-yne?
The canonical SMILES for 6,6-difluoro-5-methylidenehept-1-yne is C#CCCC(=C)C(C)(F)F.
What is the InChIKey of 6,6-difluoro-5-methylidenehept-1-yne?
The InChIKey is JOQWWXXEHZCFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2/c1-4-5-6-7(2)8(3,9)10/h1H,2,5-6H2,3H3.
What are the key properties of 6,6-difluoro-5-methylidenehept-1-yne?
6,6-difluoro-5-methylidenehept-1-yne has a molecular weight of 144.16 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-methylidenehept-1-yne is sourced from PubChem (CID 155237573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).