5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene

C7H3BrCl2F2O — CID 66865742

IUPAC5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene
SMILESFC(F)Oc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C7H3BrCl2F2O/c8-3-1-4(9)6(5(10)2-3)13-7(11)12/h1-2,7H
InChIKeyRWQOWCFPTCFWBF-UHFFFAOYSA-N
MW291.91 g/mol
LogP4.36
Rot. Bonds2

About 5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene

5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene (PubChem CID 66865742) has the molecular formula C7H3BrCl2F2O and a molecular weight of 291.91 g/mol. Its IUPAC name is 5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene.

Molecular Properties

Compound Name5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene
PubChem CID66865742
Molecular FormulaC7H3BrCl2F2O
Molecular Weight291.91 g/mol
Exact Mass289.87
IUPAC Name5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene
SMILESFC(F)Oc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C7H3BrCl2F2O/c8-3-1-4(9)6(5(10)2-3)13-7(11)12/h1-2,7H
InChIKeyRWQOWCFPTCFWBF-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.91
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Bromo-3,5-dichloro-2-methoxybenzene
CID 17087326
4-Bromo-2-chloroanisole
CID 3016537
2-Bromo-6-chloroanisole
CID 23433617
4-Bromo-2-chloro-6-iodoanisole
CID 101585753
Allyl 4-bromo-2-chlorophenyl ether
CID 3359713
4-Bromo-2-chloro-1-(trifluoromethoxy)benzene
CID 18350457
2-Bromo-1,3-dichloro-5-(trifluoromethoxy)benzene
CID 18947696
5-Bromo-1-chloro-3-fluoro-2-methoxybenzene
CID 2773260
3-Bromo-5-chloro-1-(trifluoromethoxy)benzene
CID 20269852
4-Bromo-1-chloro-2-(trifluoromethoxy)benzene
CID 22730202
4-Bromo-2-chloro-1-(difluoromethoxy)benzene
CID 46311538
1-Bromo-3-chloro-5-(difluoromethoxy)benzene
CID 54758733

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene?
The IUPAC name of 5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene (CID 66865742) is 5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene.
What is the SMILES notation for 5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene?
The canonical SMILES for 5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene is FC(F)Oc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene?
The InChIKey is RWQOWCFPTCFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrCl2F2O/c8-3-1-4(9)6(5(10)2-3)13-7(11)12/h1-2,7H.
What are the key properties of 5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene?
5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene has a molecular weight of 291.91 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene is sourced from PubChem (CID 66865742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).