1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene

C7H4ClF3O — CID 130776713

IUPAC1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene
SMILESFCOc1c(F)ccc(Cl)c1F
InChIInChI=1S/C7H4ClF3O/c8-4-1-2-5(10)7(6(4)11)12-3-9/h1-2H,3H2
InChIKeyZHYOPVQIVJKMKY-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.92
Rot. Bonds2

About 1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene

1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene (PubChem CID 130776713) has the molecular formula C7H4ClF3O and a molecular weight of 196.56 g/mol. Its IUPAC name is 1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene
PubChem CID130776713
Molecular FormulaC7H4ClF3O
Molecular Weight196.56 g/mol
Exact Mass195.99
IUPAC Name1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene
SMILESFCOc1c(F)ccc(Cl)c1F
InChIInChI=1S/C7H4ClF3O/c8-4-1-2-5(10)7(6(4)11)12-3-9/h1-2H,3H2
InChIKeyZHYOPVQIVJKMKY-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene?
The IUPAC name of 1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene (CID 130776713) is 1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene.
What is the SMILES notation for 1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene?
The canonical SMILES for 1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene is FCOc1c(F)ccc(Cl)c1F.
What is the InChIKey of 1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene?
The InChIKey is ZHYOPVQIVJKMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O/c8-4-1-2-5(10)7(6(4)11)12-3-9/h1-2H,3H2.
What are the key properties of 1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene?
1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene has a molecular weight of 196.56 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene is sourced from PubChem (CID 130776713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).