2-(trichloromethyl)furan

C5H3Cl3O — CID 18927658

IUPAC2-(trichloromethyl)furan
SMILESClC(Cl)(Cl)c1ccco1
InChIInChI=1S/C5H3Cl3O/c6-5(7,8)4-2-1-3-9-4/h1-3H
InChIKeyJYHFOXRDJWNHKD-UHFFFAOYSA-N
MW185.44 g/mol
LogP3.11
Rot. Bonds

About 2-(trichloromethyl)furan

2-(trichloromethyl)furan (PubChem CID 18927658) has the molecular formula C5H3Cl3O and a molecular weight of 185.44 g/mol. Its IUPAC name is 2-(trichloromethyl)furan.

Molecular Properties

Compound Name2-(trichloromethyl)furan
PubChem CID18927658
Molecular FormulaC5H3Cl3O
Molecular Weight185.44 g/mol
Exact Mass183.92
IUPAC Name2-(trichloromethyl)furan
SMILESClC(Cl)(Cl)c1ccco1
InChIInChI=1S/C5H3Cl3O/c6-5(7,8)4-2-1-3-9-4/h1-3H
InChIKeyJYHFOXRDJWNHKD-UHFFFAOYSA-N
XLogP3.11
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trichloromethyl)furan?
The IUPAC name of 2-(trichloromethyl)furan (CID 18927658) is 2-(trichloromethyl)furan.
What is the SMILES notation for 2-(trichloromethyl)furan?
The canonical SMILES for 2-(trichloromethyl)furan is ClC(Cl)(Cl)c1ccco1.
What is the InChIKey of 2-(trichloromethyl)furan?
The InChIKey is JYHFOXRDJWNHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3O/c6-5(7,8)4-2-1-3-9-4/h1-3H.
What are the key properties of 2-(trichloromethyl)furan?
2-(trichloromethyl)furan has a molecular weight of 185.44 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trichloromethyl)furan is sourced from PubChem (CID 18927658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).