1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol

C15H12BrF3O — CID 106265089

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1c(F)ccc(Br)c1F)c1ccccc1F
InChIInChI=1S/C15H12BrF3O/c1-15(20,10-4-2-3-5-13(10)18)8-9-12(17)7-6-11(16)14(9)19/h2-7,20H,8H2,1H3
InChIKeyHKQAQWZFQJDYSG-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.32
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol

1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol (PubChem CID 106265089) has the molecular formula C15H12BrF3O and a molecular weight of 345.16 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
PubChem CID106265089
Molecular FormulaC15H12BrF3O
Molecular Weight345.16 g/mol
Exact Mass344.00
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1c(F)ccc(Br)c1F)c1ccccc1F
InChIInChI=1S/C15H12BrF3O/c1-15(20,10-4-2-3-5-13(10)18)8-9-12(17)7-6-11(16)14(9)19/h2-7,20H,8H2,1H3
InChIKeyHKQAQWZFQJDYSG-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.32
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

1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
1-(3-bromo-2,6-difluorophenyl)-2-(2-bromophenyl)propan-2-amine
CID 106265824
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol
CID 106265532
3-[(3-bromo-2,6-difluorophenyl)methyl]pentan-3-ol
CID 106265112
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 106265143
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 114166996
1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 106273667
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 105402442
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
CID 106272229
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
CID 106273888

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol (CID 106265089) is 1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol is CC(O)(Cc1c(F)ccc(Br)c1F)c1ccccc1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol?
The InChIKey is HKQAQWZFQJDYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O/c1-15(20,10-4-2-3-5-13(10)18)8-9-12(17)7-6-11(16)14(9)19/h2-7,20H,8H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol?
1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol has a molecular weight of 345.16 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 106265089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).