2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol

C10H10BrF3O — CID 83958431

IUPAC2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCc1cc(C(C)(O)C(F)(F)F)ccc1Br
InChIInChI=1S/C10H10BrF3O/c1-6-5-7(3-4-8(6)11)9(2,15)10(12,13)14/h3-5,15H,1-2H3
InChIKeyHSLRZQMXSJUDTR-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.53
Rot. Bonds1

About 2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol

2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 83958431) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID83958431
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCc1cc(C(C)(O)C(F)(F)F)ccc1Br
InChIInChI=1S/C10H10BrF3O/c1-6-5-7(3-4-8(6)11)9(2,15)10(12,13)14/h3-5,15H,1-2H3
InChIKeyHSLRZQMXSJUDTR-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol (CID 83958431) is 2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol is Cc1cc(C(C)(O)C(F)(F)F)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is HSLRZQMXSJUDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c1-6-5-7(3-4-8(6)11)9(2,15)10(12,13)14/h3-5,15H,1-2H3.
What are the key properties of 2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol?
2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 283.09 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 83958431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).