2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol

C10H10BrF3O — CID 117104064

IUPAC2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H10BrF3O/c1-9(2,15)7-5-6(10(12,13)14)3-4-8(7)11/h3-5,15H,1-2H3
InChIKeyZSBRCLUVFMAHGJ-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.70
Rot. Bonds1

About 2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol

2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 117104064) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID117104064
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H10BrF3O/c1-9(2,15)7-5-6(10(12,13)14)3-4-8(7)11/h3-5,15H,1-2H3
InChIKeyZSBRCLUVFMAHGJ-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol (CID 117104064) is 2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol is CC(C)(O)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is ZSBRCLUVFMAHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c1-9(2,15)7-5-6(10(12,13)14)3-4-8(7)11/h3-5,15H,1-2H3.
What are the key properties of 2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol?
2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 283.09 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-5-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117104064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).