3-deuterio-4-fluorooxolane

C4H7FO — CID 175741859

IUPAC3-deuterio-4-fluorooxolane
SMILES[2H]C1COCC1F
InChIInChI=1S/C4H7FO/c5-4-1-2-6-3-4/h4H,1-3H2/i1D
InChIKeyZYGLLHJTMNMFJS-MICDWDOJSA-N
MW91.10 g/mol
LogP0.74
Rot. Bonds

About 3-deuterio-4-fluorooxolane

3-deuterio-4-fluorooxolane (PubChem CID 175741859) has the molecular formula C4H7FO and a molecular weight of 91.10 g/mol. Its IUPAC name is 3-deuterio-4-fluorooxolane.

Molecular Properties

Compound Name3-deuterio-4-fluorooxolane
PubChem CID175741859
Molecular FormulaC4H7FO
Molecular Weight91.10 g/mol
Exact Mass91.05
IUPAC Name3-deuterio-4-fluorooxolane
SMILES[2H]C1COCC1F
InChIInChI=1S/C4H7FO/c5-4-1-2-6-3-4/h4H,1-3H2/i1D
InChIKeyZYGLLHJTMNMFJS-MICDWDOJSA-N
XLogP0.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.10
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-4-fluorooxolane?
The IUPAC name of 3-deuterio-4-fluorooxolane (CID 175741859) is 3-deuterio-4-fluorooxolane.
What is the SMILES notation for 3-deuterio-4-fluorooxolane?
The canonical SMILES for 3-deuterio-4-fluorooxolane is [2H]C1COCC1F.
What is the InChIKey of 3-deuterio-4-fluorooxolane?
The InChIKey is ZYGLLHJTMNMFJS-MICDWDOJSA-N. The full InChI is InChI=1S/C4H7FO/c5-4-1-2-6-3-4/h4H,1-3H2/i1D.
What are the key properties of 3-deuterio-4-fluorooxolane?
3-deuterio-4-fluorooxolane has a molecular weight of 91.10 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-4-fluorooxolane is sourced from PubChem (CID 175741859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).