deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol

C16H17Br4FO2 — CID 163588107

IUPACdeuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol
SMILESCOc1c(Br)cc(C)cc1Br.Cc1cc(Br)c(O)c(Br)c1.[2H]CF
InChIInChI=1S/C8H8Br2O.C7H6Br2O.CH3F/c1-5-3-6(9)8(11-2)7(10)4-5;1-4-2-5(8)7(10)6(9)3-4;1-2/h3-4H,1-2H3;2-3,10H,1H3;1H3/i;;1D
InChIKeyGNFJUJMTEJFCJV-PRQZKWGPSA-N
MW580.93 g/mol
LogP7.34
Rot. Bonds1

About deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol

deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol (PubChem CID 163588107) has the molecular formula C16H17Br4FO2 and a molecular weight of 580.93 g/mol. Its IUPAC name is deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol.

Molecular Properties

Compound Namedeuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol
PubChem CID163588107
Molecular FormulaC16H17Br4FO2
Molecular Weight580.93 g/mol
Exact Mass576.80
IUPAC Namedeuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol
SMILESCOc1c(Br)cc(C)cc1Br.Cc1cc(Br)c(O)c(Br)c1.[2H]CF
InChIInChI=1S/C8H8Br2O.C7H6Br2O.CH3F/c1-5-3-6(9)8(11-2)7(10)4-5;1-4-2-5(8)7(10)6(9)3-4;1-2/h3-4H,1-2H3;2-3,10H,1H3;1H3/i;;1D
InChIKeyGNFJUJMTEJFCJV-PRQZKWGPSA-N
XLogP7.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.93
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol with MolForge

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Related Compounds

1-bromo-5-fluoro-2,3-dimethoxybenzene;2-bromo-4-fluoro-6-methoxyphenol;deuterio(fluoro)methane
CID 159278518
2-bromo-4-methoxyphenol;deuterio(fluoro)methane
CID 158022757
6-bromo-2-methoxy-3,4-dimethylphenol
CID 84694174
2,4-dibromo-3-methoxy-6-methylphenol
CID 11822564
2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82630845
6-bromo-4-chloro-3-fluoro-2-methoxyphenol
CID 84708614
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
4-bromo-6-chloro-2-fluoro-3-methoxyphenol
CID 84805039
2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82623539
1,3-dibromo-2-methoxy-5-methylbenzene;1-methoxy-5,5-dimethyl-1,4,2-diazaphospholidine
CID 142077695
2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol
CID 58201830
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol?
The IUPAC name of deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol (CID 163588107) is deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol.
What is the SMILES notation for deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol?
The canonical SMILES for deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol is COc1c(Br)cc(C)cc1Br.Cc1cc(Br)c(O)c(Br)c1.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol?
The InChIKey is GNFJUJMTEJFCJV-PRQZKWGPSA-N. The full InChI is InChI=1S/C8H8Br2O.C7H6Br2O.CH3F/c1-5-3-6(9)8(11-2)7(10)4-5;1-4-2-5(8)7(10)6(9)3-4;1-2/h3-4H,1-2H3;2-3,10H,1H3;1H3/i;;1D.
What are the key properties of deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol?
deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol has a molecular weight of 580.93 g/mol, XLogP of 7.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;1,3-dibromo-2-methoxy-5-methylbenzene;2,6-dibromo-4-methylphenol is sourced from PubChem (CID 163588107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).