2-(1,1-difluoroprop-2-enyl)-5-methylfuran

C8H8F2O — CID 162560058

IUPAC2-(1,1-difluoroprop-2-enyl)-5-methylfuran
SMILESC=CC(F)(F)c1ccc(C)o1
InChIInChI=1S/C8H8F2O/c1-3-8(9,10)7-5-4-6(2)11-7/h3-5H,1H2,2H3
InChIKeyWDHKUNBLEJYZNP-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.87
Rot. Bonds2

About 2-(1,1-difluoroprop-2-enyl)-5-methylfuran

2-(1,1-difluoroprop-2-enyl)-5-methylfuran (PubChem CID 162560058) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-(1,1-difluoroprop-2-enyl)-5-methylfuran.

Molecular Properties

Compound Name2-(1,1-difluoroprop-2-enyl)-5-methylfuran
PubChem CID162560058
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Name2-(1,1-difluoroprop-2-enyl)-5-methylfuran
SMILESC=CC(F)(F)c1ccc(C)o1
InChIInChI=1S/C8H8F2O/c1-3-8(9,10)7-5-4-6(2)11-7/h3-5H,1H2,2H3
InChIKeyWDHKUNBLEJYZNP-UHFFFAOYSA-N
XLogP2.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethylfuran
CID 12266
2-Methylfuran
CID 10797
2-Pentylfuran
CID 19602
2-Acetyl-5-Methylfuran
CID 14514
2-Ethylfuran
CID 18554
2-Butylfuran
CID 20534
2-Ethyl-5-methylfuran
CID 74346
2-Heptylfuran
CID 19603
Furfuryl methyl ketone
CID 228583
2-Propylfuran
CID 77907
5-Methyl-2-furanmethanethiol
CID 521873
Avocadenofuran
CID 6857792

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroprop-2-enyl)-5-methylfuran?
The IUPAC name of 2-(1,1-difluoroprop-2-enyl)-5-methylfuran (CID 162560058) is 2-(1,1-difluoroprop-2-enyl)-5-methylfuran.
What is the SMILES notation for 2-(1,1-difluoroprop-2-enyl)-5-methylfuran?
The canonical SMILES for 2-(1,1-difluoroprop-2-enyl)-5-methylfuran is C=CC(F)(F)c1ccc(C)o1.
What is the InChIKey of 2-(1,1-difluoroprop-2-enyl)-5-methylfuran?
The InChIKey is WDHKUNBLEJYZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O/c1-3-8(9,10)7-5-4-6(2)11-7/h3-5H,1H2,2H3.
What are the key properties of 2-(1,1-difluoroprop-2-enyl)-5-methylfuran?
2-(1,1-difluoroprop-2-enyl)-5-methylfuran has a molecular weight of 158.15 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroprop-2-enyl)-5-methylfuran is sourced from PubChem (CID 162560058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).