1,3-dichloro-5-(difluoromethoxy)benzene

C7H4Cl2F2O — CID 54556761

IUPAC1,3-dichloro-5-(difluoromethoxy)benzene
SMILESFC(F)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H4Cl2F2O/c8-4-1-5(9)3-6(2-4)12-7(10)11/h1-3,7H
InChIKeyFCLSMGWLXCOXGV-UHFFFAOYSA-N
MW213.01 g/mol
LogP3.59
Rot. Bonds2

About 1,3-dichloro-5-(difluoromethoxy)benzene

1,3-dichloro-5-(difluoromethoxy)benzene (PubChem CID 54556761) has the molecular formula C7H4Cl2F2O and a molecular weight of 213.01 g/mol. Its IUPAC name is 1,3-dichloro-5-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(difluoromethoxy)benzene
PubChem CID54556761
Molecular FormulaC7H4Cl2F2O
Molecular Weight213.01 g/mol
Exact Mass211.96
IUPAC Name1,3-dichloro-5-(difluoromethoxy)benzene
SMILESFC(F)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H4Cl2F2O/c8-4-1-5(9)3-6(2-4)12-7(10)11/h1-3,7H
InChIKeyFCLSMGWLXCOXGV-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chloroanisole
CID 12167
2,6-Dichloroanisole
CID 16127
3-Chloroanisole
CID 17833
3,5-Dichloroanisole
CID 36588
1,2-Dichloro-4-methoxybenzene
CID 37438
3,4,5-Trichloroanisole
CID 41019
alpha,4-Dichloroanisole
CID 88801
2,4-Dichloro-1-(trifluoromethoxy)benzene
CID 2736862
4-Chloro-2-fluoroanisole
CID 223101
1-Chloro-4-(trifluoromethoxy)benzene
CID 2777273
1-Chloro-3-fluoro-5-methoxybenzene
CID 2779258
1-Chloro-2-(trifluoromethoxy)benzene
CID 2782782

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(difluoromethoxy)benzene?
The IUPAC name of 1,3-dichloro-5-(difluoromethoxy)benzene (CID 54556761) is 1,3-dichloro-5-(difluoromethoxy)benzene.
What is the SMILES notation for 1,3-dichloro-5-(difluoromethoxy)benzene?
The canonical SMILES for 1,3-dichloro-5-(difluoromethoxy)benzene is FC(F)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(difluoromethoxy)benzene?
The InChIKey is FCLSMGWLXCOXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2O/c8-4-1-5(9)3-6(2-4)12-7(10)11/h1-3,7H.
What are the key properties of 1,3-dichloro-5-(difluoromethoxy)benzene?
1,3-dichloro-5-(difluoromethoxy)benzene has a molecular weight of 213.01 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(difluoromethoxy)benzene is sourced from PubChem (CID 54556761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).