1-[chloro(phenyl)methyl]-2-fluorobenzene

C13H10ClF — CID 10727682

IUPAC1-[chloro(phenyl)methyl]-2-fluorobenzene
SMILESFc1ccccc1C(Cl)c1ccccc1
InChIInChI=1S/C13H10ClF/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15/h1-9,13H
InChIKeyJZDFGWQHADEECT-UHFFFAOYSA-N
MW220.67 g/mol
LogP4.15
Rot. Bonds2

About 1-[chloro(phenyl)methyl]-2-fluorobenzene

1-[chloro(phenyl)methyl]-2-fluorobenzene (PubChem CID 10727682) has the molecular formula C13H10ClF and a molecular weight of 220.67 g/mol. Its IUPAC name is 1-[chloro(phenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[chloro(phenyl)methyl]-2-fluorobenzene
PubChem CID10727682
Molecular FormulaC13H10ClF
Molecular Weight220.67 g/mol
Exact Mass220.05
IUPAC Name1-[chloro(phenyl)methyl]-2-fluorobenzene
SMILESFc1ccccc1C(Cl)c1ccccc1
InChIInChI=1S/C13H10ClF/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15/h1-9,13H
InChIKeyJZDFGWQHADEECT-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.67
LogP ≤ 54.15
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(phenyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-[chloro(phenyl)methyl]-2-fluorobenzene (CID 10727682) is 1-[chloro(phenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-[chloro(phenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-[chloro(phenyl)methyl]-2-fluorobenzene is Fc1ccccc1C(Cl)c1ccccc1.
What is the InChIKey of 1-[chloro(phenyl)methyl]-2-fluorobenzene?
The InChIKey is JZDFGWQHADEECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF/c14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)15/h1-9,13H.
What are the key properties of 1-[chloro(phenyl)methyl]-2-fluorobenzene?
1-[chloro(phenyl)methyl]-2-fluorobenzene has a molecular weight of 220.67 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(phenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 10727682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).