2-bromo-1,4-bis(fluoromethoxy)benzene

C8H7BrF2O2 — CID 150344358

IUPAC2-bromo-1,4-bis(fluoromethoxy)benzene
SMILESFCOc1ccc(OCF)c(Br)c1
InChIInChI=1S/C8H7BrF2O2/c9-7-3-6(12-4-10)1-2-8(7)13-5-11/h1-3H,4-5H2
InChIKeyGSJJXEOLRHMUDY-UHFFFAOYSA-N
MW253.04 g/mol
LogP3.06
Rot. Bonds4

About 2-bromo-1,4-bis(fluoromethoxy)benzene

2-bromo-1,4-bis(fluoromethoxy)benzene (PubChem CID 150344358) has the molecular formula C8H7BrF2O2 and a molecular weight of 253.04 g/mol. Its IUPAC name is 2-bromo-1,4-bis(fluoromethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1,4-bis(fluoromethoxy)benzene
PubChem CID150344358
Molecular FormulaC8H7BrF2O2
Molecular Weight253.04 g/mol
Exact Mass251.96
IUPAC Name2-bromo-1,4-bis(fluoromethoxy)benzene
SMILESFCOc1ccc(OCF)c(Br)c1
InChIInChI=1S/C8H7BrF2O2/c9-7-3-6(12-4-10)1-2-8(7)13-5-11/h1-3H,4-5H2
InChIKeyGSJJXEOLRHMUDY-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.04
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dibromo-4-(fluoromethoxy)benzene
CID 141054271
3-bromo-4-(fluoromethoxy)aniline
CID 174521231
2,4-bis(fluoromethoxy)-1-methylbenzene
CID 57232585
2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene
CID 118802283
1-fluoro-4-(fluoromethoxy)-2-methoxybenzene
CID 118227774
2-bromo-1-(3-bromopropoxy)-4-(trifluoromethoxy)benzene
CID 171115636
2-bromo-4-methoxy-1-(4,4,4-trifluorobutoxy)benzene
CID 113443609
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
1,2-dibromo-5-(difluoromethoxy)-3-(fluoromethoxy)benzene
CID 118841497
5-bromo-2-fluoro-4-(fluoromethoxy)phenol
CID 130893346
1,3-dibromo-2-(difluoromethoxy)-5-(fluoromethoxy)benzene
CID 118807710
3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 102674553

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,4-bis(fluoromethoxy)benzene?
The IUPAC name of 2-bromo-1,4-bis(fluoromethoxy)benzene (CID 150344358) is 2-bromo-1,4-bis(fluoromethoxy)benzene.
What is the SMILES notation for 2-bromo-1,4-bis(fluoromethoxy)benzene?
The canonical SMILES for 2-bromo-1,4-bis(fluoromethoxy)benzene is FCOc1ccc(OCF)c(Br)c1.
What is the InChIKey of 2-bromo-1,4-bis(fluoromethoxy)benzene?
The InChIKey is GSJJXEOLRHMUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O2/c9-7-3-6(12-4-10)1-2-8(7)13-5-11/h1-3H,4-5H2.
What are the key properties of 2-bromo-1,4-bis(fluoromethoxy)benzene?
2-bromo-1,4-bis(fluoromethoxy)benzene has a molecular weight of 253.04 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,4-bis(fluoromethoxy)benzene is sourced from PubChem (CID 150344358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).