2,2,5-trifluoro-5-(trifluoromethyl)furan

C5H2F6O — CID 12677444

IUPAC2,2,5-trifluoro-5-(trifluoromethyl)furan
SMILESFC1(F)C=CC(F)(C(F)(F)F)O1
InChIInChI=1S/C5H2F6O/c6-3(5(9,10)11)1-2-4(7,8)12-3/h1-2H
InChIKeyFYVNUWRNSNXSRE-UHFFFAOYSA-N
MW192.06 g/mol
LogP2.39
Rot. Bonds

About 2,2,5-trifluoro-5-(trifluoromethyl)furan

2,2,5-trifluoro-5-(trifluoromethyl)furan (PubChem CID 12677444) has the molecular formula C5H2F6O and a molecular weight of 192.06 g/mol. Its IUPAC name is 2,2,5-trifluoro-5-(trifluoromethyl)furan.

Molecular Properties

Compound Name2,2,5-trifluoro-5-(trifluoromethyl)furan
PubChem CID12677444
Molecular FormulaC5H2F6O
Molecular Weight192.06 g/mol
Exact Mass192.00
IUPAC Name2,2,5-trifluoro-5-(trifluoromethyl)furan
SMILESFC1(F)C=CC(F)(C(F)(F)F)O1
InChIInChI=1S/C5H2F6O/c6-3(5(9,10)11)1-2-4(7,8)12-3/h1-2H
InChIKeyFYVNUWRNSNXSRE-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 52.39
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 2,2,5-trifluoro-5-(trifluoromethyl)furan?
The IUPAC name of 2,2,5-trifluoro-5-(trifluoromethyl)furan (CID 12677444) is 2,2,5-trifluoro-5-(trifluoromethyl)furan.
What is the SMILES notation for 2,2,5-trifluoro-5-(trifluoromethyl)furan?
The canonical SMILES for 2,2,5-trifluoro-5-(trifluoromethyl)furan is FC1(F)C=CC(F)(C(F)(F)F)O1.
What is the InChIKey of 2,2,5-trifluoro-5-(trifluoromethyl)furan?
The InChIKey is FYVNUWRNSNXSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6O/c6-3(5(9,10)11)1-2-4(7,8)12-3/h1-2H.
What are the key properties of 2,2,5-trifluoro-5-(trifluoromethyl)furan?
2,2,5-trifluoro-5-(trifluoromethyl)furan has a molecular weight of 192.06 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trifluoro-5-(trifluoromethyl)furan is sourced from PubChem (CID 12677444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).