4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran

C13H12ClFO — CID 114822972

IUPAC4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran
SMILESCc1cc(C(Cl)Cc2ccccc2F)co1
InChIInChI=1S/C13H12ClFO/c1-9-6-11(8-16-9)12(14)7-10-4-2-3-5-13(10)15/h2-6,8,12H,7H2,1H3
InChIKeyBHBOPGJJKFYLRI-UHFFFAOYSA-N
MW238.69 g/mol
LogP4.25
Rot. Bonds3

About 4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran

4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran (PubChem CID 114822972) has the molecular formula C13H12ClFO and a molecular weight of 238.69 g/mol. Its IUPAC name is 4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran.

Molecular Properties

Compound Name4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran
PubChem CID114822972
Molecular FormulaC13H12ClFO
Molecular Weight238.69 g/mol
Exact Mass238.06
IUPAC Name4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran
SMILESCc1cc(C(Cl)Cc2ccccc2F)co1
InChIInChI=1S/C13H12ClFO/c1-9-6-11(8-16-9)12(14)7-10-4-2-3-5-13(10)15/h2-6,8,12H,7H2,1H3
InChIKeyBHBOPGJJKFYLRI-UHFFFAOYSA-N
XLogP4.25
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105284737
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
1-[1-chloro-2-(2-fluorophenyl)ethyl]-3-fluoro-5-methylbenzene
CID 113396019
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1,2,3-trifluorobenzene
CID 55223503
1-[1-chloro-2-(2-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 63434643
1-bromo-4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 113396989
4-[1-chloro-2-(2-fluorophenyl)ethyl]pyridine
CID 63018718
1-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylbenzene
CID 63543185
2-bromo-6-[1-chloro-2-(2-fluorophenyl)ethyl]naphthalene
CID 115354476
2-[1-chloro-2-(2-fluorophenyl)ethyl]-5-methylthiophene
CID 61082521
N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 115828096
2-bromo-5-[1-chloro-2-(2-fluorophenyl)ethyl]-3-methylthiophene
CID 79996776

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran?
The IUPAC name of 4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran (CID 114822972) is 4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran.
What is the SMILES notation for 4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran?
The canonical SMILES for 4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran is Cc1cc(C(Cl)Cc2ccccc2F)co1.
What is the InChIKey of 4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran?
The InChIKey is BHBOPGJJKFYLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFO/c1-9-6-11(8-16-9)12(14)7-10-4-2-3-5-13(10)15/h2-6,8,12H,7H2,1H3.
What are the key properties of 4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran?
4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran has a molecular weight of 238.69 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-2-(2-fluorophenyl)ethyl]-2-methylfuran is sourced from PubChem (CID 114822972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).