5,5-difluoropent-2-yne

C5H6F2 — CID 15710925

IUPAC5,5-difluoropent-2-yne
SMILESCC#CCC(F)F
InChIInChI=1S/C5H6F2/c1-2-3-4-5(6)7/h5H,4H2,1H3
InChIKeyNYFICURXGFQPOS-UHFFFAOYSA-N
MW104.10 g/mol
LogP1.66
Rot. Bonds1

About 5,5-difluoropent-2-yne

5,5-difluoropent-2-yne (PubChem CID 15710925) has the molecular formula C5H6F2 and a molecular weight of 104.10 g/mol. Its IUPAC name is 5,5-difluoropent-2-yne.

Molecular Properties

Compound Name5,5-difluoropent-2-yne
PubChem CID15710925
Molecular FormulaC5H6F2
Molecular Weight104.10 g/mol
Exact Mass104.04
IUPAC Name5,5-difluoropent-2-yne
SMILESCC#CCC(F)F
InChIInChI=1S/C5H6F2/c1-2-3-4-5(6)7/h5H,4H2,1H3
InChIKeyNYFICURXGFQPOS-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropent-2-yne?
The IUPAC name of 5,5-difluoropent-2-yne (CID 15710925) is 5,5-difluoropent-2-yne.
What is the SMILES notation for 5,5-difluoropent-2-yne?
The canonical SMILES for 5,5-difluoropent-2-yne is CC#CCC(F)F.
What is the InChIKey of 5,5-difluoropent-2-yne?
The InChIKey is NYFICURXGFQPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2/c1-2-3-4-5(6)7/h5H,4H2,1H3.
What are the key properties of 5,5-difluoropent-2-yne?
5,5-difluoropent-2-yne has a molecular weight of 104.10 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropent-2-yne is sourced from PubChem (CID 15710925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).