2-(2-deuterioethyl)furan

C6H8O — CID 141162489

IUPAC2-(2-deuterioethyl)furan
SMILES[2H]CCc1ccco1
InChIInChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3/i1D
InChIKeyHLPIHRDZBHXTFJ-MICDWDOJSA-N
MW97.14 g/mol
LogP1.84
Rot. Bonds2

About 2-(2-deuterioethyl)furan

2-(2-deuterioethyl)furan (PubChem CID 141162489) has the molecular formula C6H8O and a molecular weight of 97.14 g/mol. Its IUPAC name is 2-(2-deuterioethyl)furan.

Molecular Properties

Compound Name2-(2-deuterioethyl)furan
PubChem CID141162489
Molecular FormulaC6H8O
Molecular Weight97.14 g/mol
Exact Mass97.06
IUPAC Name2-(2-deuterioethyl)furan
SMILES[2H]CCc1ccco1
InChIInChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3/i1D
InChIKeyHLPIHRDZBHXTFJ-MICDWDOJSA-N
XLogP1.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.14
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-deuteriopropyl)furan
CID 141109691
2-(1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentyl)furan
CID 139024054
furan-2-ylmethanethiol
CID 158949317
ethane;2-(methoxymethyl)furan
CID 143640700
2-(ethylperoxymethyl)furan
CID 175094388
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
furan-2-ylmethanamine;methane
CID 20976999
2-[[(S)-methylsulfinyl]methyl]furan
CID 119098303
2-(2-methoxyethyl)furan
CID 19010334
1-(furan-2-ylmethyl)-2-methylhydrazine
CID 119094029
2-(2-methylsulfanylethyl)furan
CID 45489970
2-(2-ethylbutyl)furan
CID 68844643

Frequently Asked Questions

What is the IUPAC name of 2-(2-deuterioethyl)furan?
The IUPAC name of 2-(2-deuterioethyl)furan (CID 141162489) is 2-(2-deuterioethyl)furan.
What is the SMILES notation for 2-(2-deuterioethyl)furan?
The canonical SMILES for 2-(2-deuterioethyl)furan is [2H]CCc1ccco1.
What is the InChIKey of 2-(2-deuterioethyl)furan?
The InChIKey is HLPIHRDZBHXTFJ-MICDWDOJSA-N. The full InChI is InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3/i1D.
What are the key properties of 2-(2-deuterioethyl)furan?
2-(2-deuterioethyl)furan has a molecular weight of 97.14 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-deuterioethyl)furan is sourced from PubChem (CID 141162489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).