2-(1-deuteriopropyl)furan

C7H10O — CID 141109691

IUPAC2-(1-deuteriopropyl)furan
SMILES[2H]C(CC)c1ccco1
InChIInChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3/i4D
InChIKeyCPLJMYOQYRCCBY-QYKNYGDISA-N
MW111.16 g/mol
LogP2.23
Rot. Bonds2

About 2-(1-deuteriopropyl)furan

2-(1-deuteriopropyl)furan (PubChem CID 141109691) has the molecular formula C7H10O and a molecular weight of 111.16 g/mol. Its IUPAC name is 2-(1-deuteriopropyl)furan.

Molecular Properties

Compound Name2-(1-deuteriopropyl)furan
PubChem CID141109691
Molecular FormulaC7H10O
Molecular Weight111.16 g/mol
Exact Mass111.08
IUPAC Name2-(1-deuteriopropyl)furan
SMILES[2H]C(CC)c1ccco1
InChIInChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3/i4D
InChIKeyCPLJMYOQYRCCBY-QYKNYGDISA-N
XLogP2.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-deuterioethyl)furan
CID 141162489
triethyl(furan-2-ylmethoxy)silane
CID 11435807
2-(ethylperoxymethyl)furan
CID 175094388
1-(furan-2-yl)hexan-2-ol
CID 83171633
2-[(E)-hex-2-enyl]furan
CID 13275150
butane;ethane;2-(ethoxymethyl)furan
CID 143895142
2-(2-ethylbutyl)furan
CID 68844643
2-(3-methylhexyl)furan
CID 12840321
2-(1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentyl)furan
CID 139024054
furan-2-ylmethanethiol
CID 158949317
acetaldehyde;2-(chloromethyl)furan
CID 174376101
2-(diselanylmethyl)furan
CID 174958831

Frequently Asked Questions

What is the IUPAC name of 2-(1-deuteriopropyl)furan?
The IUPAC name of 2-(1-deuteriopropyl)furan (CID 141109691) is 2-(1-deuteriopropyl)furan.
What is the SMILES notation for 2-(1-deuteriopropyl)furan?
The canonical SMILES for 2-(1-deuteriopropyl)furan is [2H]C(CC)c1ccco1.
What is the InChIKey of 2-(1-deuteriopropyl)furan?
The InChIKey is CPLJMYOQYRCCBY-QYKNYGDISA-N. The full InChI is InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3/i4D.
What are the key properties of 2-(1-deuteriopropyl)furan?
2-(1-deuteriopropyl)furan has a molecular weight of 111.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-deuteriopropyl)furan is sourced from PubChem (CID 141109691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).