1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol

C11H13BrF3NO — CID 60886097

IUPAC1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-10(2,17)6-16-9-4-3-7(12)5-8(9)11(13,14)15/h3-5,16-17H,6H2,1-2H3
InChIKeyOZUOXNIVNZLWQE-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.65
Rot. Bonds3

About 1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol

1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol (PubChem CID 60886097) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
PubChem CID60886097
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC Name1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-10(2,17)6-16-9-4-3-7(12)5-8(9)11(13,14)15/h3-5,16-17H,6H2,1-2H3
InChIKeyOZUOXNIVNZLWQE-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)aniline
CID 59557088
5-[4-bromo-2-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol
CID 106145068
4-bromo-N-[(4-bromophenyl)methyl]-2-(trifluoromethyl)aniline
CID 60790630
4-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 60792864
4-bromo-N-[(4-ethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 60791438
4-[[4-bromo-2-(trifluoromethyl)anilino]methyl]phenol
CID 60790628
methyl 2-[4-bromo-2-(trifluoromethyl)anilino]acetate
CID 60790807
N-[4-bromo-2-(trifluoromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 54918575
1-[4-bromo-2-(trifluoromethyl)anilino]-4,4-dimethylpentan-2-ol
CID 107153157
4-bromo-N-[(4-iodophenyl)methyl]-2-(trifluoromethyl)aniline
CID 65477978
4-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(trifluoromethyl)aniline
CID 112588802
ethyl 3-[4-bromo-2-(trifluoromethyl)anilino]propanoate
CID 60792217

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol (CID 60886097) is 1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol is CC(C)(O)CNc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol?
The InChIKey is OZUOXNIVNZLWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c1-10(2,17)6-16-9-4-3-7(12)5-8(9)11(13,14)15/h3-5,16-17H,6H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol?
1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol has a molecular weight of 312.13 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol is sourced from PubChem (CID 60886097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).