2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan

C6H2F8O — CID 23236321

IUPAC2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan
SMILESFC1OC(F)(C(F)(F)F)C=C1C(F)(F)F
InChIInChI=1S/C6H2F8O/c7-3-2(5(9,10)11)1-4(8,15-3)6(12,13)14/h1,3H
InChIKeyIBFWRMGGMJXGHQ-UHFFFAOYSA-N
MW242.06 g/mol
LogP3.03
Rot. Bonds

About 2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan

2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan (PubChem CID 23236321) has the molecular formula C6H2F8O and a molecular weight of 242.06 g/mol. Its IUPAC name is 2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan.

Molecular Properties

Compound Name2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan
PubChem CID23236321
Molecular FormulaC6H2F8O
Molecular Weight242.06 g/mol
Exact Mass242.00
IUPAC Name2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan
SMILESFC1OC(F)(C(F)(F)F)C=C1C(F)(F)F
InChIInChI=1S/C6H2F8O/c7-3-2(5(9,10)11)1-4(8,15-3)6(12,13)14/h1,3H
InChIKeyIBFWRMGGMJXGHQ-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan?
The IUPAC name of 2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan (CID 23236321) is 2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan.
What is the SMILES notation for 2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan?
The canonical SMILES for 2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan is FC1OC(F)(C(F)(F)F)C=C1C(F)(F)F.
What is the InChIKey of 2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan?
The InChIKey is IBFWRMGGMJXGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8O/c7-3-2(5(9,10)11)1-4(8,15-3)6(12,13)14/h1,3H.
What are the key properties of 2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan?
2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan has a molecular weight of 242.06 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3,5-bis(trifluoromethyl)-2H-furan is sourced from PubChem (CID 23236321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).