1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene

C7H4Cl2F2O — CID 118824754

IUPAC1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene
SMILESFCOc1cc(Cl)c(Cl)cc1F
InChIInChI=1S/C7H4Cl2F2O/c8-4-1-6(11)7(12-3-10)2-5(4)9/h1-2H,3H2
InChIKeyARFQWIUFADCVQL-UHFFFAOYSA-N
MW213.01 g/mol
LogP3.44
Rot. Bonds2

About 1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene

1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene (PubChem CID 118824754) has the molecular formula C7H4Cl2F2O and a molecular weight of 213.01 g/mol. Its IUPAC name is 1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene
PubChem CID118824754
Molecular FormulaC7H4Cl2F2O
Molecular Weight213.01 g/mol
Exact Mass211.96
IUPAC Name1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene
SMILESFCOc1cc(Cl)c(Cl)cc1F
InChIInChI=1S/C7H4Cl2F2O/c8-4-1-6(11)7(12-3-10)2-5(4)9/h1-2H,3H2
InChIKeyARFQWIUFADCVQL-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.01
LogP ≤ 53.44
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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Related Compounds

4-chloro-2-fluoro-1-(fluoromethoxy)benzene
CID 67335232
1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene
CID 118847258
5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene
CID 130969013
1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene
CID 118852839
1-bromo-2-chloro-5-fluoro-4-propoxybenzene
CID 163198209
1-bromo-5-fluoro-4-(fluoromethoxy)-2-nitrobenzene
CID 118847379
1-(difluoromethyl)-4,5-difluoro-2-(fluoromethoxy)benzene
CID 118828280
1-chloro-2,4-difluoro-3-(fluoromethoxy)benzene
CID 130776713
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
1,5-dichloro-2-(difluoromethoxy)-3-(fluoromethoxy)benzene
CID 118824687
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
5-bromo-2-fluoro-4-(fluoromethoxy)phenol
CID 130893346

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene?
The IUPAC name of 1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene (CID 118824754) is 1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene.
What is the SMILES notation for 1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene?
The canonical SMILES for 1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene is FCOc1cc(Cl)c(Cl)cc1F.
What is the InChIKey of 1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene?
The InChIKey is ARFQWIUFADCVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2O/c8-4-1-6(11)7(12-3-10)2-5(4)9/h1-2H,3H2.
What are the key properties of 1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene?
1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene has a molecular weight of 213.01 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-fluoro-5-(fluoromethoxy)benzene is sourced from PubChem (CID 118824754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).