[(2S)-2-fluorobut-3-yn-2-yl]cyclobutane

C8H11F — CID 129450746

IUPAC[(2S)-2-fluorobut-3-yn-2-yl]cyclobutane
SMILESC#C[C@@](C)(F)C1CCC1
InChIInChI=1S/C8H11F/c1-3-8(2,9)7-5-4-6-7/h1,7H,4-6H2,2H3/t8-/m1/s1
InChIKeyBLPMFQYNFTVBIS-MRVPVSSYSA-N
MW126.17 g/mol
LogP2.15
Rot. Bonds1

About [(2S)-2-fluorobut-3-yn-2-yl]cyclobutane

[(2S)-2-fluorobut-3-yn-2-yl]cyclobutane (PubChem CID 129450746) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is [(2S)-2-fluorobut-3-yn-2-yl]cyclobutane.

Molecular Properties

Compound Name[(2S)-2-fluorobut-3-yn-2-yl]cyclobutane
PubChem CID129450746
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name[(2S)-2-fluorobut-3-yn-2-yl]cyclobutane
SMILESC#C[C@@](C)(F)C1CCC1
InChIInChI=1S/C8H11F/c1-3-8(2,9)7-5-4-6-7/h1,7H,4-6H2,2H3/t8-/m1/s1
InChIKeyBLPMFQYNFTVBIS-MRVPVSSYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.15
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 [(2S)-2-fluorobut-3-yn-2-yl]cyclobutane?
The IUPAC name of [(2S)-2-fluorobut-3-yn-2-yl]cyclobutane (CID 129450746) is [(2S)-2-fluorobut-3-yn-2-yl]cyclobutane.
What is the SMILES notation for [(2S)-2-fluorobut-3-yn-2-yl]cyclobutane?
The canonical SMILES for [(2S)-2-fluorobut-3-yn-2-yl]cyclobutane is C#C[C@@](C)(F)C1CCC1.
What is the InChIKey of [(2S)-2-fluorobut-3-yn-2-yl]cyclobutane?
The InChIKey is BLPMFQYNFTVBIS-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H11F/c1-3-8(2,9)7-5-4-6-7/h1,7H,4-6H2,2H3/t8-/m1/s1.
What are the key properties of [(2S)-2-fluorobut-3-yn-2-yl]cyclobutane?
[(2S)-2-fluorobut-3-yn-2-yl]cyclobutane has a molecular weight of 126.17 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-fluorobut-3-yn-2-yl]cyclobutane is sourced from PubChem (CID 129450746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).