5-(deuteriomethyl)-2,3-dihydrofuran

C5H8O — CID 102085462

IUPAC5-(deuteriomethyl)-2,3-dihydrofuran
SMILES[2H]CC1=CCCO1
InChIInChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3/i1D
InChIKeyBGCWDXXJMUHZHE-MICDWDOJSA-N
MW85.12 g/mol
LogP1.31
Rot. Bonds1

About 5-(deuteriomethyl)-2,3-dihydrofuran

5-(deuteriomethyl)-2,3-dihydrofuran (PubChem CID 102085462) has the molecular formula C5H8O and a molecular weight of 85.12 g/mol. Its IUPAC name is 5-(deuteriomethyl)-2,3-dihydrofuran.

Molecular Properties

Compound Name5-(deuteriomethyl)-2,3-dihydrofuran
PubChem CID102085462
Molecular FormulaC5H8O
Molecular Weight85.12 g/mol
Exact Mass85.06
IUPAC Name5-(deuteriomethyl)-2,3-dihydrofuran
SMILES[2H]CC1=CCCO1
InChIInChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3/i1D
InChIKeyBGCWDXXJMUHZHE-MICDWDOJSA-N
XLogP1.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.12
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-2,3-dihydrooxepin-5-amine
CID 177191938
7-methyl-2,3,4,5-tetrahydrooxepine
CID 142050874
bis(2,3-dihydrofuran-5-yl)-dimethylsilane
CID 12929512
2,3-dihydrofuran-5-yl(dimethyl)silane
CID 71429749
CID 57418780
CID 57418780
lithium 2,3-dihydrofuran-5-olate
CID 23663748
5-propyl-2,3-dihydrofuran
CID 10464323
6-methyl-3,4-dihydro-2H-pyran;7-methyl-2,3,4,5-tetrahydrothiepine
CID 142050665
5-(difluoromethyl)-2,3-dihydrofuran
CID 54083806
[Di(4,5-dihydrofuran-2-yl)methyl]silane
CID 78067895
5-propoxy-2,3-dihydrofuran
CID 173372616
1-(2,3-dihydrofuran-5-yl)-4-methoxypentan-1-amine
CID 102653078

Frequently Asked Questions

What is the IUPAC name of 5-(deuteriomethyl)-2,3-dihydrofuran?
The IUPAC name of 5-(deuteriomethyl)-2,3-dihydrofuran (CID 102085462) is 5-(deuteriomethyl)-2,3-dihydrofuran.
What is the SMILES notation for 5-(deuteriomethyl)-2,3-dihydrofuran?
The canonical SMILES for 5-(deuteriomethyl)-2,3-dihydrofuran is [2H]CC1=CCCO1.
What is the InChIKey of 5-(deuteriomethyl)-2,3-dihydrofuran?
The InChIKey is BGCWDXXJMUHZHE-MICDWDOJSA-N. The full InChI is InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3/i1D.
What are the key properties of 5-(deuteriomethyl)-2,3-dihydrofuran?
5-(deuteriomethyl)-2,3-dihydrofuran has a molecular weight of 85.12 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(deuteriomethyl)-2,3-dihydrofuran is sourced from PubChem (CID 102085462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).