1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene

C7H5BrF2O — CID 102571531

IUPAC1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene
SMILES[2H]C([2H])([2H])Oc1c(F)cc(F)cc1Br
InChIInChI=1S/C7H5BrF2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3/i1D3
InChIKeyMFXWQGHKLXJIIP-FIBGUPNXSA-N
MW226.03 g/mol
LogP2.74
Rot. Bonds2

About 1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene

1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene (PubChem CID 102571531) has the molecular formula C7H5BrF2O and a molecular weight of 226.03 g/mol. Its IUPAC name is 1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene
PubChem CID102571531
Molecular FormulaC7H5BrF2O
Molecular Weight226.03 g/mol
Exact Mass224.97
IUPAC Name1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene
SMILES[2H]C([2H])([2H])Oc1c(F)cc(F)cc1Br
InChIInChI=1S/C7H5BrF2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3/i1D3
InChIKeyMFXWQGHKLXJIIP-FIBGUPNXSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039
1,3-dibromo-5-[3,5-dibromo-4-(trideuteriomethoxy)phenyl]sulfonyl-2-(trideuteriomethoxy)benzene
CID 169446885
1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene
CID 118308830
1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
CID 146004216
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CID 159278518
2-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43775017
1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene
CID 118813366
1-(3-bromo-5-fluoro-2-methoxyphenyl)ethanol
CID 84706860
1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol
CID 66793719
2-bromo-4,6-difluorobenzenethiol
CID 50998009
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
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CID 106710547

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene?
The IUPAC name of 1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene (CID 102571531) is 1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene.
What is the SMILES notation for 1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene?
The canonical SMILES for 1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene is [2H]C([2H])([2H])Oc1c(F)cc(F)cc1Br.
What is the InChIKey of 1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene?
The InChIKey is MFXWQGHKLXJIIP-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H5BrF2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3/i1D3.
What are the key properties of 1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene?
1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene has a molecular weight of 226.03 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-difluoro-2-(trideuteriomethoxy)benzene is sourced from PubChem (CID 102571531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).