2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan

C12H9Cl2FO — CID 106689750

IUPAC2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
SMILESFc1cccc(CC(Cl)c2ccoc2Cl)c1
InChIInChI=1S/C12H9Cl2FO/c13-11(10-4-5-16-12(10)14)7-8-2-1-3-9(15)6-8/h1-6,11H,7H2
InChIKeyWCYHHZPPCFQPBE-UHFFFAOYSA-N
MW259.11 g/mol
LogP4.59
Rot. Bonds3

About 2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan

2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan (PubChem CID 106689750) has the molecular formula C12H9Cl2FO and a molecular weight of 259.11 g/mol. Its IUPAC name is 2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan.

Molecular Properties

Compound Name2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
PubChem CID106689750
Molecular FormulaC12H9Cl2FO
Molecular Weight259.11 g/mol
Exact Mass258.00
IUPAC Name2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
SMILESFc1cccc(CC(Cl)c2ccoc2Cl)c1
InChIInChI=1S/C12H9Cl2FO/c13-11(10-4-5-16-12(10)14)7-8-2-1-3-9(15)6-8/h1-6,11H,7H2
InChIKeyWCYHHZPPCFQPBE-UHFFFAOYSA-N
XLogP4.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan
CID 106689813
2-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 63016663
1-bromo-2-chloro-4-[1-chloro-2-(3-fluorophenyl)ethyl]-5-fluorobenzene
CID 105399717
1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene
CID 63543533
4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
CID 63542483
2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan
CID 106689725
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-4-methylbenzene
CID 82815468
2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
CID 63542658
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
CID 55225396
1-(2-chlorofuran-3-yl)-2-(3-methylphenyl)ethanol
CID 106689706
1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene
CID 63433697

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan?
The IUPAC name of 2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan (CID 106689750) is 2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan.
What is the SMILES notation for 2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan?
The canonical SMILES for 2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan is Fc1cccc(CC(Cl)c2ccoc2Cl)c1.
What is the InChIKey of 2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan?
The InChIKey is WCYHHZPPCFQPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FO/c13-11(10-4-5-16-12(10)14)7-8-2-1-3-9(15)6-8/h1-6,11H,7H2.
What are the key properties of 2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan?
2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan has a molecular weight of 259.11 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan is sourced from PubChem (CID 106689750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).