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

C12H10ClFO — CID 63016663

IUPAC2-[1-chloro-2-(3-fluorophenyl)ethyl]furan
SMILESFc1cccc(CC(Cl)c2ccco2)c1
InChIInChI=1S/C12H10ClFO/c13-11(12-5-2-6-15-12)8-9-3-1-4-10(14)7-9/h1-7,11H,8H2
InChIKeyMVASTFBYUKKZJB-UHFFFAOYSA-N
MW224.66 g/mol
LogP3.94
Rot. Bonds3

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

2-[1-chloro-2-(3-fluorophenyl)ethyl]furan (PubChem CID 63016663) has the molecular formula C12H10ClFO and a molecular weight of 224.66 g/mol. Its IUPAC name is 2-[1-chloro-2-(3-fluorophenyl)ethyl]furan.

Molecular Properties

Compound Name2-[1-chloro-2-(3-fluorophenyl)ethyl]furan
PubChem CID63016663
Molecular FormulaC12H10ClFO
Molecular Weight224.66 g/mol
Exact Mass224.04
IUPAC Name2-[1-chloro-2-(3-fluorophenyl)ethyl]furan
SMILESFc1cccc(CC(Cl)c2ccco2)c1
InChIInChI=1S/C12H10ClFO/c13-11(12-5-2-6-15-12)8-9-3-1-4-10(14)7-9/h1-7,11H,8H2
InChIKeyMVASTFBYUKKZJB-UHFFFAOYSA-N
XLogP3.94
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 53.94
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

2-(1-chloro-2-phenylethyl)furan
CID 63016846
2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 106689750
1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 104979819
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
CID 55225396
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene
CID 63543533
2-[(3-fluorophenyl)methylamino]-2-(furan-2-yl)ethanol
CID 111470567
2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
CID 63542658
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
CID 115634120
2-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-difluoro-4-methylbenzene
CID 82815468
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3-methoxybenzene
CID 63016090

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(3-fluorophenyl)ethyl]furan?
The IUPAC name of 2-[1-chloro-2-(3-fluorophenyl)ethyl]furan (CID 63016663) is 2-[1-chloro-2-(3-fluorophenyl)ethyl]furan.
What is the SMILES notation for 2-[1-chloro-2-(3-fluorophenyl)ethyl]furan?
The canonical SMILES for 2-[1-chloro-2-(3-fluorophenyl)ethyl]furan is Fc1cccc(CC(Cl)c2ccco2)c1.
What is the InChIKey of 2-[1-chloro-2-(3-fluorophenyl)ethyl]furan?
The InChIKey is MVASTFBYUKKZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO/c13-11(12-5-2-6-15-12)8-9-3-1-4-10(14)7-9/h1-7,11H,8H2.
What are the key properties of 2-[1-chloro-2-(3-fluorophenyl)ethyl]furan?
2-[1-chloro-2-(3-fluorophenyl)ethyl]furan has a molecular weight of 224.66 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(3-fluorophenyl)ethyl]furan is sourced from PubChem (CID 63016663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).