1-[chloro(difluoro)methoxy]-2-fluorobenzene

C7H4ClF3O — CID 15681631

IUPAC1-[chloro(difluoro)methoxy]-2-fluorobenzene
SMILESFc1ccccc1OC(F)(F)Cl
InChIInChI=1S/C7H4ClF3O/c8-7(10,11)12-6-4-2-1-3-5(6)9/h1-4H
InChIKeyLBNNOHBHBBSZMH-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.99
Rot. Bonds2

About 1-[chloro(difluoro)methoxy]-2-fluorobenzene

1-[chloro(difluoro)methoxy]-2-fluorobenzene (PubChem CID 15681631) has the molecular formula C7H4ClF3O and a molecular weight of 196.56 g/mol. Its IUPAC name is 1-[chloro(difluoro)methoxy]-2-fluorobenzene.

Molecular Properties

Compound Name1-[chloro(difluoro)methoxy]-2-fluorobenzene
PubChem CID15681631
Molecular FormulaC7H4ClF3O
Molecular Weight196.56 g/mol
Exact Mass195.99
IUPAC Name1-[chloro(difluoro)methoxy]-2-fluorobenzene
SMILESFc1ccccc1OC(F)(F)Cl
InChIInChI=1S/C7H4ClF3O/c8-7(10,11)12-6-4-2-1-3-5(6)9/h1-4H
InChIKeyLBNNOHBHBBSZMH-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(difluoro)methoxy]-2-fluorobenzene?
The IUPAC name of 1-[chloro(difluoro)methoxy]-2-fluorobenzene (CID 15681631) is 1-[chloro(difluoro)methoxy]-2-fluorobenzene.
What is the SMILES notation for 1-[chloro(difluoro)methoxy]-2-fluorobenzene?
The canonical SMILES for 1-[chloro(difluoro)methoxy]-2-fluorobenzene is Fc1ccccc1OC(F)(F)Cl.
What is the InChIKey of 1-[chloro(difluoro)methoxy]-2-fluorobenzene?
The InChIKey is LBNNOHBHBBSZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O/c8-7(10,11)12-6-4-2-1-3-5(6)9/h1-4H.
What are the key properties of 1-[chloro(difluoro)methoxy]-2-fluorobenzene?
1-[chloro(difluoro)methoxy]-2-fluorobenzene has a molecular weight of 196.56 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(difluoro)methoxy]-2-fluorobenzene is sourced from PubChem (CID 15681631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).