(1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol

C14H12BrFO — CID 11044629

IUPAC(1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol
SMILESO[C@@H](c1ccccc1)[C@H](Br)c1ccccc1F
InChIInChI=1S/C14H12BrFO/c15-13(11-8-4-5-9-12(11)16)14(17)10-6-2-1-3-7-10/h1-9,13-14,17H/t13-,14+/m1/s1
InChIKeyCJZIFSVCOGHEBW-KGLIPLIRSA-N
MW295.15 g/mol
LogP4.00
Rot. Bonds3

About (1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol

(1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol (PubChem CID 11044629) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is (1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol.

Molecular Properties

Compound Name(1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol
PubChem CID11044629
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name(1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol
SMILESO[C@@H](c1ccccc1)[C@H](Br)c1ccccc1F
InChIInChI=1S/C14H12BrFO/c15-13(11-8-4-5-9-12(11)16)14(17)10-6-2-1-3-7-10/h1-9,13-14,17H/t13-,14+/m1/s1
InChIKeyCJZIFSVCOGHEBW-KGLIPLIRSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-fluorophenyl)methanol
CID 18424663
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
1,2-diphenylethane-1,2-diol
CID 159073808
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
(1S)-1,2,2-triphenylethanol
CID 38988933
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
2-amino-1-(2,3-difluorophenyl)-2-phenylethanol
CID 63669574
(1S)-2-bromo-1-(2-fluorophenyl)ethanol
CID 24862084
(1R)-2,2-difluoro-1-phenylethanol
CID 12955760
[(2-fluorophenyl)-phenylmethyl]phosphonic acid
CID 66796437

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol?
The IUPAC name of (1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol (CID 11044629) is (1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol.
What is the SMILES notation for (1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol?
The canonical SMILES for (1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol is O[C@@H](c1ccccc1)[C@H](Br)c1ccccc1F.
What is the InChIKey of (1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol?
The InChIKey is CJZIFSVCOGHEBW-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H12BrFO/c15-13(11-8-4-5-9-12(11)16)14(17)10-6-2-1-3-7-10/h1-9,13-14,17H/t13-,14+/m1/s1.
What are the key properties of (1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol?
(1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol has a molecular weight of 295.15 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-bromo-2-(2-fluorophenyl)-1-phenylethanol is sourced from PubChem (CID 11044629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).