4-chloro-2-(trifluoromethyl)furan

C5H2ClF3O — CID 23058069

IUPAC4-chloro-2-(trifluoromethyl)furan
SMILESFC(F)(F)c1cc(Cl)co1
InChIInChI=1S/C5H2ClF3O/c6-3-1-4(10-2-3)5(7,8)9/h1-2H
InChIKeyCPDXHZAXTIBAAT-UHFFFAOYSA-N
MW170.52 g/mol
LogP2.95
Rot. Bonds

About 4-chloro-2-(trifluoromethyl)furan

4-chloro-2-(trifluoromethyl)furan (PubChem CID 23058069) has the molecular formula C5H2ClF3O and a molecular weight of 170.52 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)furan.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)furan
PubChem CID23058069
Molecular FormulaC5H2ClF3O
Molecular Weight170.52 g/mol
Exact Mass169.97
IUPAC Name4-chloro-2-(trifluoromethyl)furan
SMILESFC(F)(F)c1cc(Cl)co1
InChIInChI=1S/C5H2ClF3O/c6-3-1-4(10-2-3)5(7,8)9/h1-2H
InChIKeyCPDXHZAXTIBAAT-UHFFFAOYSA-N
XLogP2.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.52
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)furan?
The IUPAC name of 4-chloro-2-(trifluoromethyl)furan (CID 23058069) is 4-chloro-2-(trifluoromethyl)furan.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)furan?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)furan is FC(F)(F)c1cc(Cl)co1.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)furan?
The InChIKey is CPDXHZAXTIBAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3O/c6-3-1-4(10-2-3)5(7,8)9/h1-2H.
What are the key properties of 4-chloro-2-(trifluoromethyl)furan?
4-chloro-2-(trifluoromethyl)furan has a molecular weight of 170.52 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)furan is sourced from PubChem (CID 23058069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).