1-chloro-2-fluorobenzene

C6H4ClF — CID 9583

IUPAC1-chloro-2-fluorobenzene
SMILESFc1ccccc1Cl
InChIInChI=1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyZCJAYDKWZAWMPR-UHFFFAOYSA-N
MW130.55 g/mol
LogP2.48
Rot. Bonds

About 1-chloro-2-fluorobenzene

1-chloro-2-fluorobenzene (PubChem CID 9583) has the molecular formula C6H4ClF and a molecular weight of 130.55 g/mol. Its IUPAC name is 1-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-fluorobenzene
PubChem CID9583
Molecular FormulaC6H4ClF
Molecular Weight130.55 g/mol
Exact Mass130.00
IUPAC Name1-chloro-2-fluorobenzene
SMILESFc1ccccc1Cl
InChIInChI=1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyZCJAYDKWZAWMPR-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.55
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluorobenzene?
The IUPAC name of 1-chloro-2-fluorobenzene (CID 9583) is 1-chloro-2-fluorobenzene.
What is the SMILES notation for 1-chloro-2-fluorobenzene?
The canonical SMILES for 1-chloro-2-fluorobenzene is Fc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-fluorobenzene?
The InChIKey is ZCJAYDKWZAWMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H.
What are the key properties of 1-chloro-2-fluorobenzene?
1-chloro-2-fluorobenzene has a molecular weight of 130.55 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluorobenzene is sourced from PubChem (CID 9583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).