[4-bromo-2-(trifluoromethyl)phenyl]methanol

C8H6BrF3O — CID 74892768

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H6BrF3O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3,13H,4H2
InChIKeyOAJNCPOEIRBIHS-UHFFFAOYSA-N
MW255.03 g/mol
LogP2.96
Rot. Bonds1

About [4-bromo-2-(trifluoromethyl)phenyl]methanol

[4-bromo-2-(trifluoromethyl)phenyl]methanol (PubChem CID 74892768) has the molecular formula C8H6BrF3O and a molecular weight of 255.03 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]methanol
PubChem CID74892768
Molecular FormulaC8H6BrF3O
Molecular Weight255.03 g/mol
Exact Mass253.96
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H6BrF3O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3,13H,4H2
InChIKeyOAJNCPOEIRBIHS-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.03
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromobenzyl alcohol
CID 70119
1-(4-Bromophenyl)ethanol
CID 95352
3-Bromobenzyl alcohol
CID 85141
1-(3-Bromophenyl)ethanol
CID 98479
(2-Bromo-4-fluorophenyl)methanol
CID 2773347
1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-ol
CID 23423062
2-(Trifluoromethyl)benzylic alcohol
CID 67666
4-Bromo-alpha-propylbenzenemethanol
CID 90739
4-Bromo-alpha-ethylbenzenemethanol
CID 107290
(1R)-1-(3-bromophenyl)ethan-1-ol
CID 2734889
(1S)-1-(4-bromophenyl)ethan-1-ol
CID 2734890
(1S)-1-(3-bromophenyl)ethan-1-ol
CID 6951261

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]methanol (CID 74892768) is [4-bromo-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]methanol is OCc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is OAJNCPOEIRBIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3,13H,4H2.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]methanol?
[4-bromo-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 255.03 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 74892768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).