2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol

C9H8BrF3O — CID 117113950

IUPAC2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol
SMILESCC(C)(O)c1c(F)c(F)cc(Br)c1F
InChIInChI=1S/C9H8BrF3O/c1-9(2,14)6-7(12)4(10)3-5(11)8(6)13/h3,14H,1-2H3
InChIKeyFYYYVBOEXKWXEL-UHFFFAOYSA-N
MW269.06 g/mol
LogP3.09
Rot. Bonds1

About 2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol

2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol (PubChem CID 117113950) has the molecular formula C9H8BrF3O and a molecular weight of 269.06 g/mol. Its IUPAC name is 2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol
PubChem CID117113950
Molecular FormulaC9H8BrF3O
Molecular Weight269.06 g/mol
Exact Mass267.97
IUPAC Name2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol
SMILESCC(C)(O)c1c(F)c(F)cc(Br)c1F
InChIInChI=1S/C9H8BrF3O/c1-9(2,14)6-7(12)4(10)3-5(11)8(6)13/h3,14H,1-2H3
InChIKeyFYYYVBOEXKWXEL-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117420953
3,4,6-trifluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117294409
2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
CID 117473013
6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117451003
1-bromo-5-tert-butyl-2,3-difluorobenzene
CID 139993631
4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol
CID 84711326
2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
1-bromo-4,5-difluoro-3-methyl-2-(trifluoromethyl)benzene
CID 170917204
1-bromo-2,3,5-trifluoro-4-(trifluoromethyl)benzene
CID 169336513
2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol
CID 171064600
2-(5-bromo-2,4-difluoro-3-methoxyphenyl)propan-2-ol
CID 84715079
1-(2,6-dibromo-3,4-difluorophenyl)ethanone
CID 119010401

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol?
The IUPAC name of 2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol (CID 117113950) is 2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol is CC(C)(O)c1c(F)c(F)cc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol?
The InChIKey is FYYYVBOEXKWXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3O/c1-9(2,14)6-7(12)4(10)3-5(11)8(6)13/h3,14H,1-2H3.
What are the key properties of 2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol?
2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol has a molecular weight of 269.06 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol is sourced from PubChem (CID 117113950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).