5-(trifluoromethyl)furan-2-carbonyl chloride

C6H2ClF3O2 — CID 45081800

IUPAC5-(trifluoromethyl)furan-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C6H2ClF3O2/c7-5(11)3-1-2-4(12-3)6(8,9)10/h1-2H
InChIKeyLDUVGYISWYZCTF-UHFFFAOYSA-N
MW198.53 g/mol
LogP2.68
Rot. Bonds1

About 5-(trifluoromethyl)furan-2-carbonyl chloride

5-(trifluoromethyl)furan-2-carbonyl chloride (PubChem CID 45081800) has the molecular formula C6H2ClF3O2 and a molecular weight of 198.53 g/mol. Its IUPAC name is 5-(trifluoromethyl)furan-2-carbonyl chloride.

Molecular Properties

Compound Name5-(trifluoromethyl)furan-2-carbonyl chloride
PubChem CID45081800
Molecular FormulaC6H2ClF3O2
Molecular Weight198.53 g/mol
Exact Mass197.97
IUPAC Name5-(trifluoromethyl)furan-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C6H2ClF3O2/c7-5(11)3-1-2-4(12-3)6(8,9)10/h1-2H
InChIKeyLDUVGYISWYZCTF-UHFFFAOYSA-N
XLogP2.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.53
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)furan-2-carbonyl chloride?
The IUPAC name of 5-(trifluoromethyl)furan-2-carbonyl chloride (CID 45081800) is 5-(trifluoromethyl)furan-2-carbonyl chloride.
What is the SMILES notation for 5-(trifluoromethyl)furan-2-carbonyl chloride?
The canonical SMILES for 5-(trifluoromethyl)furan-2-carbonyl chloride is O=C(Cl)c1ccc(C(F)(F)F)o1.
What is the InChIKey of 5-(trifluoromethyl)furan-2-carbonyl chloride?
The InChIKey is LDUVGYISWYZCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3O2/c7-5(11)3-1-2-4(12-3)6(8,9)10/h1-2H.
What are the key properties of 5-(trifluoromethyl)furan-2-carbonyl chloride?
5-(trifluoromethyl)furan-2-carbonyl chloride has a molecular weight of 198.53 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)furan-2-carbonyl chloride is sourced from PubChem (CID 45081800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).