2-(difluoromethyl)-3-methylfuran

C6H6F2O — CID 99986071

IUPAC2-(difluoromethyl)-3-methylfuran
SMILESCc1ccoc1C(F)F
InChIInChI=1S/C6H6F2O/c1-4-2-3-9-5(4)6(7)8/h2-3,6H,1H3
InChIKeyHYOGDRMUXHBGFE-UHFFFAOYSA-N
MW132.11 g/mol
LogP2.53
Rot. Bonds1

About 2-(difluoromethyl)-3-methylfuran

2-(difluoromethyl)-3-methylfuran (PubChem CID 99986071) has the molecular formula C6H6F2O and a molecular weight of 132.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methylfuran.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methylfuran
PubChem CID99986071
Molecular FormulaC6H6F2O
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name2-(difluoromethyl)-3-methylfuran
SMILESCc1ccoc1C(F)F
InChIInChI=1S/C6H6F2O/c1-4-2-3-9-5(4)6(7)8/h2-3,6H,1H3
InChIKeyHYOGDRMUXHBGFE-UHFFFAOYSA-N
XLogP2.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methylfuran?
The IUPAC name of 2-(difluoromethyl)-3-methylfuran (CID 99986071) is 2-(difluoromethyl)-3-methylfuran.
What is the SMILES notation for 2-(difluoromethyl)-3-methylfuran?
The canonical SMILES for 2-(difluoromethyl)-3-methylfuran is Cc1ccoc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-methylfuran?
The InChIKey is HYOGDRMUXHBGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O/c1-4-2-3-9-5(4)6(7)8/h2-3,6H,1H3.
What are the key properties of 2-(difluoromethyl)-3-methylfuran?
2-(difluoromethyl)-3-methylfuran has a molecular weight of 132.11 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methylfuran is sourced from PubChem (CID 99986071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).