1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol

C9H7BrF4O2 — CID 164894852

IUPAC1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
SMILESCOc1ccc(F)c(C(O)C(F)(F)F)c1Br
InChIInChI=1S/C9H7BrF4O2/c1-16-5-3-2-4(11)6(7(5)10)8(15)9(12,13)14/h2-3,8,15H,1H3
InChIKeyALJNVJHQNCHNTR-UHFFFAOYSA-N
MW303.05 g/mol
LogP3.19
Rot. Bonds2

About 1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol

1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol (PubChem CID 164894852) has the molecular formula C9H7BrF4O2 and a molecular weight of 303.05 g/mol. Its IUPAC name is 1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
PubChem CID164894852
Molecular FormulaC9H7BrF4O2
Molecular Weight303.05 g/mol
Exact Mass301.96
IUPAC Name1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
SMILESCOc1ccc(F)c(C(O)C(F)(F)F)c1Br
InChIInChI=1S/C9H7BrF4O2/c1-16-5-3-2-4(11)6(7(5)10)8(15)9(12,13)14/h2-3,8,15H,1H3
InChIKeyALJNVJHQNCHNTR-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.05
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol
CID 171366869
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
1-(2-bromo-3,6-dimethoxyphenyl)ethanol
CID 117406483
1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61101686
N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807297
(2-bromo-6-fluoro-3-methoxyphenyl)-methylborinic acid
CID 123761758
1-(2,3-difluoro-6-methoxyphenyl)ethanol
CID 58022414
1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
CID 130132864
2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115779347
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
CID 65433362
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 83949728

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol (CID 164894852) is 1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol is COc1ccc(F)c(C(O)C(F)(F)F)c1Br.
What is the InChIKey of 1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol?
The InChIKey is ALJNVJHQNCHNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF4O2/c1-16-5-3-2-4(11)6(7(5)10)8(15)9(12,13)14/h2-3,8,15H,1H3.
What are the key properties of 1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol?
1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol has a molecular weight of 303.05 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 164894852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).