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

C8H6BrF3O — CID 2779289

IUPAC[2-bromo-4-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C8H6BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2
InChIKeyNKWNLTSBVALPBR-UHFFFAOYSA-N
MW255.03 g/mol
LogP2.96
Rot. Bonds1

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

[2-bromo-4-(trifluoromethyl)phenyl]methanol (PubChem CID 2779289) has the molecular formula C8H6BrF3O and a molecular weight of 255.03 g/mol. Its IUPAC name is [2-bromo-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-4-(trifluoromethyl)phenyl]methanol
PubChem CID2779289
Molecular FormulaC8H6BrF3O
Molecular Weight255.03 g/mol
Exact Mass253.96
IUPAC Name[2-bromo-4-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C8H6BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2
InChIKeyNKWNLTSBVALPBR-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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Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-bromo-4-(trifluoromethyl)phenyl]methanol (CID 2779289) is [2-bromo-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-bromo-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-bromo-4-(trifluoromethyl)phenyl]methanol is OCc1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of [2-bromo-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is NKWNLTSBVALPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3,13H,4H2.
What are the key properties of [2-bromo-4-(trifluoromethyl)phenyl]methanol?
[2-bromo-4-(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 [2-bromo-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 2779289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).