(3S)-3-fluorocyclobutene

C4H5F — CID 100918453

IUPAC(3S)-3-fluorocyclobutene
SMILESF[C@@H]1C=CC1
InChIInChI=1S/C4H5F/c5-4-2-1-3-4/h1-2,4H,3H2/t4-/m1/s1
InChIKeyXYJLZSYYXVMYRV-SCSAIBSYSA-N
MW72.08 g/mol
LogP1.28
Rot. Bonds

About (3S)-3-fluorocyclobutene

(3S)-3-fluorocyclobutene (PubChem CID 100918453) has the molecular formula C4H5F and a molecular weight of 72.08 g/mol. Its IUPAC name is (3S)-3-fluorocyclobutene.

Molecular Properties

Compound Name(3S)-3-fluorocyclobutene
PubChem CID100918453
Molecular FormulaC4H5F
Molecular Weight72.08 g/mol
Exact Mass72.04
IUPAC Name(3S)-3-fluorocyclobutene
SMILESF[C@@H]1C=CC1
InChIInChI=1S/C4H5F/c5-4-2-1-3-4/h1-2,4H,3H2/t4-/m1/s1
InChIKeyXYJLZSYYXVMYRV-SCSAIBSYSA-N
XLogP1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.08
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluorocyclobutene?
The IUPAC name of (3S)-3-fluorocyclobutene (CID 100918453) is (3S)-3-fluorocyclobutene.
What is the SMILES notation for (3S)-3-fluorocyclobutene?
The canonical SMILES for (3S)-3-fluorocyclobutene is F[C@@H]1C=CC1.
What is the InChIKey of (3S)-3-fluorocyclobutene?
The InChIKey is XYJLZSYYXVMYRV-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H5F/c5-4-2-1-3-4/h1-2,4H,3H2/t4-/m1/s1.
What are the key properties of (3S)-3-fluorocyclobutene?
(3S)-3-fluorocyclobutene has a molecular weight of 72.08 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluorocyclobutene is sourced from PubChem (CID 100918453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).