1-[chloro(difluoro)methoxy]-4-fluorobenzene

C7H4ClF3O — CID 15681633

IUPAC1-[chloro(difluoro)methoxy]-4-fluorobenzene
SMILESFc1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C7H4ClF3O/c8-7(10,11)12-6-3-1-5(9)2-4-6/h1-4H
InChIKeyZZNKGCGNVFQMCN-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.99
Rot. Bonds2

About 1-[chloro(difluoro)methoxy]-4-fluorobenzene

1-[chloro(difluoro)methoxy]-4-fluorobenzene (PubChem CID 15681633) has the molecular formula C7H4ClF3O and a molecular weight of 196.56 g/mol. Its IUPAC name is 1-[chloro(difluoro)methoxy]-4-fluorobenzene.

Molecular Properties

Compound Name1-[chloro(difluoro)methoxy]-4-fluorobenzene
PubChem CID15681633
Molecular FormulaC7H4ClF3O
Molecular Weight196.56 g/mol
Exact Mass195.99
IUPAC Name1-[chloro(difluoro)methoxy]-4-fluorobenzene
SMILESFc1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C7H4ClF3O/c8-7(10,11)12-6-3-1-5(9)2-4-6/h1-4H
InChIKeyZZNKGCGNVFQMCN-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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Related Compounds

4-[chloro(difluoro)methoxy]phenol
CID 13253418
4-[chloro(difluoro)methoxy]benzonitrile
CID 13315043
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762
1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine
CID 144882273
1-[chloro(difluoro)methoxy]-2-fluorobenzene
CID 15681631
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
CID 144811052
2,2-difluoro-2-[4-(4-fluorophenyl)phenoxy]acetate
CID 162451027
N-[(3-bromo-4-fluorophenyl)methyl]-4-[chloro(difluoro)methoxy]aniline
CID 123506434
(4-fluorophenyl) hypobromite
CID 19745276
CID 175409260
CID 175409260
N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 619065

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(difluoro)methoxy]-4-fluorobenzene?
The IUPAC name of 1-[chloro(difluoro)methoxy]-4-fluorobenzene (CID 15681633) is 1-[chloro(difluoro)methoxy]-4-fluorobenzene.
What is the SMILES notation for 1-[chloro(difluoro)methoxy]-4-fluorobenzene?
The canonical SMILES for 1-[chloro(difluoro)methoxy]-4-fluorobenzene is Fc1ccc(OC(F)(F)Cl)cc1.
What is the InChIKey of 1-[chloro(difluoro)methoxy]-4-fluorobenzene?
The InChIKey is ZZNKGCGNVFQMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O/c8-7(10,11)12-6-3-1-5(9)2-4-6/h1-4H.
What are the key properties of 1-[chloro(difluoro)methoxy]-4-fluorobenzene?
1-[chloro(difluoro)methoxy]-4-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]-4-fluorobenzene is sourced from PubChem (CID 15681633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).