1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol

C10H10BrF3O — CID 117114539

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H10BrF3O/c1-6(15)4-7-2-3-8(11)5-9(7)10(12,13)14/h2-3,5-6,15H,4H2,1H3
InChIKeyPNBGBEUNZRZUSN-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.39
Rot. Bonds2

About 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol

1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 117114539) has the molecular formula C10H10BrF3O and a molecular weight of 283.09 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID117114539
Molecular FormulaC10H10BrF3O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H10BrF3O/c1-6(15)4-7-2-3-8(11)5-9(7)10(12,13)14/h2-3,5-6,15H,4H2,1H3
InChIKeyPNBGBEUNZRZUSN-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol (CID 117114539) is 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol is CC(O)Cc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is PNBGBEUNZRZUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O/c1-6(15)4-7-2-3-8(11)5-9(7)10(12,13)14/h2-3,5-6,15H,4H2,1H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol?
1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 283.09 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117114539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).