1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol

C9H8BrF3O2 — CID 61101686

IUPAC1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
SMILESCOc1ccc(Br)cc1C(O)C(F)(F)F
InChIInChI=1S/C9H8BrF3O2/c1-15-7-3-2-5(10)4-6(7)8(14)9(11,12)13/h2-4,8,14H,1H3
InChIKeyOENIVZWOODZCSP-UHFFFAOYSA-N
MW285.06 g/mol
LogP3.05
Rot. Bonds2

About 1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol

1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol (PubChem CID 61101686) has the molecular formula C9H8BrF3O2 and a molecular weight of 285.06 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
PubChem CID61101686
Molecular FormulaC9H8BrF3O2
Molecular Weight285.06 g/mol
Exact Mass283.97
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
SMILESCOc1ccc(Br)cc1C(O)C(F)(F)F
InChIInChI=1S/C9H8BrF3O2/c1-15-7-3-2-5(10)4-6(7)8(14)9(11,12)13/h2-4,8,14H,1H3
InChIKeyOENIVZWOODZCSP-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 83949728
4-bromo-2-methoxy-6-(2,2,2-trifluoro-1-hydroxyethyl)phenol
CID 83954646
ethyl 3-(5-bromo-2-methoxyphenyl)-2,2-difluoro-3-hydroxypropanoate
CID 62397967
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
CID 65433362
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
CID 164892127
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
3-(5-bromo-2-methoxyphenyl)-3-hydroxy-2-methylpropanenitrile
CID 79129107
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 63832427
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587
N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
CID 130061479

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol (CID 61101686) is 1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol is COc1ccc(Br)cc1C(O)C(F)(F)F.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol?
The InChIKey is OENIVZWOODZCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O2/c1-15-7-3-2-5(10)4-6(7)8(14)9(11,12)13/h2-4,8,14H,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol?
1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol has a molecular weight of 285.06 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 61101686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).