(3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene

C4H4F2 — CID 91026708

IUPAC(3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene
SMILES[2H]C1=C([2H])[C@]([2H])(F)[C@@]1([2H])F
InChIInChI=1S/C4H4F2/c5-3-1-2-4(3)6/h1-4H/t3-,4-/m0/s1/i1D,2D,3D,4D
InChIKeyFMZQAHWLKIRBNV-LLCWUYCFSA-N
MW94.10 g/mol
LogP1.23
Rot. Bonds

About (3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene

(3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene (PubChem CID 91026708) has the molecular formula C4H4F2 and a molecular weight of 94.10 g/mol. Its IUPAC name is (3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene.

Molecular Properties

Compound Name(3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene
PubChem CID91026708
Molecular FormulaC4H4F2
Molecular Weight94.10 g/mol
Exact Mass94.05
IUPAC Name(3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene
SMILES[2H]C1=C([2H])[C@]([2H])(F)[C@@]1([2H])F
InChIInChI=1S/C4H4F2/c5-3-1-2-4(3)6/h1-4H/t3-,4-/m0/s1/i1D,2D,3D,4D
InChIKeyFMZQAHWLKIRBNV-LLCWUYCFSA-N
XLogP1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.10
LogP ≤ 51.23
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,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene?
The IUPAC name of (3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene (CID 91026708) is (3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene.
What is the SMILES notation for (3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene?
The canonical SMILES for (3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene is [2H]C1=C([2H])[C@]([2H])(F)[C@@]1([2H])F.
What is the InChIKey of (3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene?
The InChIKey is FMZQAHWLKIRBNV-LLCWUYCFSA-N. The full InChI is InChI=1S/C4H4F2/c5-3-1-2-4(3)6/h1-4H/t3-,4-/m0/s1/i1D,2D,3D,4D.
What are the key properties of (3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene?
(3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene has a molecular weight of 94.10 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,2,3,4-tetradeuterio-3,4-difluorocyclobutene is sourced from PubChem (CID 91026708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).