2-bromo-4-chloro-1-(difluoromethoxy)benzene

C7H4BrClF2O — CID 46311537

IUPAC2-bromo-4-chloro-1-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C7H4BrClF2O/c8-5-3-4(9)1-2-6(5)12-7(10)11/h1-3,7H
InChIKeyXFRGUUPMGQRCGB-UHFFFAOYSA-N
MW257.46 g/mol
LogP3.70
Rot. Bonds2

About 2-bromo-4-chloro-1-(difluoromethoxy)benzene

2-bromo-4-chloro-1-(difluoromethoxy)benzene (PubChem CID 46311537) has the molecular formula C7H4BrClF2O and a molecular weight of 257.46 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-(difluoromethoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-(difluoromethoxy)benzene
PubChem CID46311537
Molecular FormulaC7H4BrClF2O
Molecular Weight257.46 g/mol
Exact Mass255.91
IUPAC Name2-bromo-4-chloro-1-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C7H4BrClF2O/c8-5-3-4(9)1-2-6(5)12-7(10)11/h1-3,7H
InChIKeyXFRGUUPMGQRCGB-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Bromo-3,5-dichloro-2-methoxybenzene
CID 17087326
2-Bromo-4-chloroanisole
CID 521935
4-Bromo-2-chloroanisole
CID 3016537
2-Bromo-6-chloroanisole
CID 23433617
1-Bromo-2-(trifluoromethoxy)benzene
CID 2777266
1-Chloro-4-(trifluoromethoxy)benzene
CID 2777273
2-Bromo-1-chloro-4-methoxybenzene
CID 24212081
1-Bromo-2-(difluoromethoxy)benzene
CID 2737004
1-Bromo-4-chloro-2-methoxybenzene
CID 17984845
1-Bromo-3-chloro-5-methoxybenzene
CID 21949840
4-Bromo-2-chloro-1-(trifluoromethoxy)benzene
CID 18350457
1-Chloro-4-(difluoromethoxy)benzene
CID 10997613

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-(difluoromethoxy)benzene?
The IUPAC name of 2-bromo-4-chloro-1-(difluoromethoxy)benzene (CID 46311537) is 2-bromo-4-chloro-1-(difluoromethoxy)benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-(difluoromethoxy)benzene?
The canonical SMILES for 2-bromo-4-chloro-1-(difluoromethoxy)benzene is FC(F)Oc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-(difluoromethoxy)benzene?
The InChIKey is XFRGUUPMGQRCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2O/c8-5-3-4(9)1-2-6(5)12-7(10)11/h1-3,7H.
What are the key properties of 2-bromo-4-chloro-1-(difluoromethoxy)benzene?
2-bromo-4-chloro-1-(difluoromethoxy)benzene has a molecular weight of 257.46 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-(difluoromethoxy)benzene is sourced from PubChem (CID 46311537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).