2-(difluoromethyl)-2-methyl-3H-furan

C6H8F2O — CID 173356491

IUPAC2-(difluoromethyl)-2-methyl-3H-furan
SMILESCC1(C(F)F)CC=CO1
InChIInChI=1S/C6H8F2O/c1-6(5(7)8)3-2-4-9-6/h2,4-5H,3H2,1H3
InChIKeyGBTVFXMVIUVYTE-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.94
Rot. Bonds1

About 2-(difluoromethyl)-2-methyl-3H-furan

2-(difluoromethyl)-2-methyl-3H-furan (PubChem CID 173356491) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-2-methyl-3H-furan.

Molecular Properties

Compound Name2-(difluoromethyl)-2-methyl-3H-furan
PubChem CID173356491
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name2-(difluoromethyl)-2-methyl-3H-furan
SMILESCC1(C(F)F)CC=CO1
InChIInChI=1S/C6H8F2O/c1-6(5(7)8)3-2-4-9-6/h2,4-5H,3H2,1H3
InChIKeyGBTVFXMVIUVYTE-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2-methyl-3H-furan?
The IUPAC name of 2-(difluoromethyl)-2-methyl-3H-furan (CID 173356491) is 2-(difluoromethyl)-2-methyl-3H-furan.
What is the SMILES notation for 2-(difluoromethyl)-2-methyl-3H-furan?
The canonical SMILES for 2-(difluoromethyl)-2-methyl-3H-furan is CC1(C(F)F)CC=CO1.
What is the InChIKey of 2-(difluoromethyl)-2-methyl-3H-furan?
The InChIKey is GBTVFXMVIUVYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c1-6(5(7)8)3-2-4-9-6/h2,4-5H,3H2,1H3.
What are the key properties of 2-(difluoromethyl)-2-methyl-3H-furan?
2-(difluoromethyl)-2-methyl-3H-furan has a molecular weight of 134.12 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2-methyl-3H-furan is sourced from PubChem (CID 173356491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).