1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene

C13H9ClF2 — CID 2723773

IUPAC1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H
InChIKeyFHPNLCLHMNPLEW-UHFFFAOYSA-N
MW238.66 g/mol
LogP4.29
Rot. Bonds2

About 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene

1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene (PubChem CID 2723773) has the molecular formula C13H9ClF2 and a molecular weight of 238.66 g/mol. Its IUPAC name is 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene
PubChem CID2723773
Molecular FormulaC13H9ClF2
Molecular Weight238.66 g/mol
Exact Mass238.04
IUPAC Name1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene
SMILESFc1ccc(C(Cl)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H
InChIKeyFHPNLCLHMNPLEW-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.66
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene (CID 2723773) is 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene is Fc1ccc(C(Cl)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene?
The InChIKey is FHPNLCLHMNPLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H.
What are the key properties of 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene?
1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene has a molecular weight of 238.66 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(4-fluorophenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 2723773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).