5-deuterio-2,3-dihydrofuran

C4H6O — CID 12576703

IUPAC5-deuterio-2,3-dihydrofuran
SMILES[2H]C1=CCCO1
InChIInChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2/i3D
InChIKeyJKTCBAGSMQIFNL-WFVSFCRTSA-N
MW71.10 g/mol
LogP0.92
Rot. Bonds

About 5-deuterio-2,3-dihydrofuran

5-deuterio-2,3-dihydrofuran (PubChem CID 12576703) has the molecular formula C4H6O and a molecular weight of 71.10 g/mol. Its IUPAC name is 5-deuterio-2,3-dihydrofuran.

Molecular Properties

Compound Name5-deuterio-2,3-dihydrofuran
PubChem CID12576703
Molecular FormulaC4H6O
Molecular Weight71.10 g/mol
Exact Mass71.05
IUPAC Name5-deuterio-2,3-dihydrofuran
SMILES[2H]C1=CCCO1
InChIInChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2/i3D
InChIKeyJKTCBAGSMQIFNL-WFVSFCRTSA-N
XLogP0.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.10
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2,3-dihydrofuran?
The IUPAC name of 5-deuterio-2,3-dihydrofuran (CID 12576703) is 5-deuterio-2,3-dihydrofuran.
What is the SMILES notation for 5-deuterio-2,3-dihydrofuran?
The canonical SMILES for 5-deuterio-2,3-dihydrofuran is [2H]C1=CCCO1.
What is the InChIKey of 5-deuterio-2,3-dihydrofuran?
The InChIKey is JKTCBAGSMQIFNL-WFVSFCRTSA-N. The full InChI is InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2/i3D.
What are the key properties of 5-deuterio-2,3-dihydrofuran?
5-deuterio-2,3-dihydrofuran has a molecular weight of 71.10 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2,3-dihydrofuran is sourced from PubChem (CID 12576703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).