1-(chloromethyl)-3-fluorobenzene

C7H6ClF — CID 9974

IUPAC1-(chloromethyl)-3-fluorobenzene
SMILESFc1cccc(CCl)c1
InChIInChI=1S/C7H6ClF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKeyXBDXMDVEZLOGMC-UHFFFAOYSA-N
MW144.58 g/mol
LogP2.56
Rot. Bonds1

About 1-(chloromethyl)-3-fluorobenzene

1-(chloromethyl)-3-fluorobenzene (PubChem CID 9974) has the molecular formula C7H6ClF and a molecular weight of 144.58 g/mol. Its IUPAC name is 1-(chloromethyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-fluorobenzene
PubChem CID9974
Molecular FormulaC7H6ClF
Molecular Weight144.58 g/mol
Exact Mass144.01
IUPAC Name1-(chloromethyl)-3-fluorobenzene
SMILESFc1cccc(CCl)c1
InChIInChI=1S/C7H6ClF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKeyXBDXMDVEZLOGMC-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.58
LogP ≤ 52.56
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-(chloromethyl)-3-fluorobenzene?
The IUPAC name of 1-(chloromethyl)-3-fluorobenzene (CID 9974) is 1-(chloromethyl)-3-fluorobenzene.
What is the SMILES notation for 1-(chloromethyl)-3-fluorobenzene?
The canonical SMILES for 1-(chloromethyl)-3-fluorobenzene is Fc1cccc(CCl)c1.
What is the InChIKey of 1-(chloromethyl)-3-fluorobenzene?
The InChIKey is XBDXMDVEZLOGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2.
What are the key properties of 1-(chloromethyl)-3-fluorobenzene?
1-(chloromethyl)-3-fluorobenzene has a molecular weight of 144.58 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-fluorobenzene is sourced from PubChem (CID 9974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).