2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol

C9H8BrF3O — CID 58347290

IUPAC2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C9H8BrF3O/c1-8(14,9(11,12)13)6-2-4-7(10)5-3-6/h2-5,14H,1H3
InChIKeyZWLWJQBJGOXGMA-UHFFFAOYSA-N
MW269.06 g/mol
LogP3.22
Rot. Bonds1

About 2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol

2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 58347290) has the molecular formula C9H8BrF3O and a molecular weight of 269.06 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID58347290
Molecular FormulaC9H8BrF3O
Molecular Weight269.06 g/mol
Exact Mass267.97
IUPAC Name2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C9H8BrF3O/c1-8(14,9(11,12)13)6-2-4-7(10)5-3-6/h2-5,14H,1H3
InChIKeyZWLWJQBJGOXGMA-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol (CID 58347290) is 2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZWLWJQBJGOXGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O/c1-8(14,9(11,12)13)6-2-4-7(10)5-3-6/h2-5,14H,1H3.
What are the key properties of 2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol?
2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 269.06 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 58347290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).