(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol

C14H11BrF2O2 — CID 104940737

IUPAC(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C14H11BrF2O2/c1-8(18)14-11(17)3-2-4-12(14)19-13-7-9(15)5-6-10(13)16/h2-8,18H,1H3/t8-/m1/s1
InChIKeyREGSEAAUEKFWAQ-MRVPVSSYSA-N
MW329.14 g/mol
LogP4.57
Rot. Bonds3

About (1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol

(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol (PubChem CID 104940737) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is (1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
PubChem CID104940737
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C14H11BrF2O2/c1-8(18)14-11(17)3-2-4-12(14)19-13-7-9(15)5-6-10(13)16/h2-8,18H,1H3/t8-/m1/s1
InChIKeyREGSEAAUEKFWAQ-MRVPVSSYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
CID 107284910
1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 64854056
(1S)-1-[2-fluoro-6-(2-fluoro-5-methylphenoxy)phenyl]ethanol
CID 79001316
(1S)-1-[2-(3-bromophenoxy)-6-fluorophenyl]ethanol
CID 78941624
1-[2-(2-bromo-4-chlorophenoxy)-6-fluorophenyl]ethanol
CID 43506537
1-[2-(2-bromo-4-methoxyphenoxy)-6-fluorophenyl]ethanol
CID 104707954
(1R)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659058
(1S)-1-[2-(4-bromo-2,5-dichlorophenoxy)-6-fluorophenyl]ethanol
CID 107659074
(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 107724964
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
(1R)-1-[2-fluoro-6-(2,4,5-trichlorophenoxy)phenyl]ethanol
CID 63540335
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 104940754

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol (CID 104940737) is (1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol is C[C@@H](O)c1c(F)cccc1Oc1cc(Br)ccc1F.
What is the InChIKey of (1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol?
The InChIKey is REGSEAAUEKFWAQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c1-8(18)14-11(17)3-2-4-12(14)19-13-7-9(15)5-6-10(13)16/h2-8,18H,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol?
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol has a molecular weight of 329.14 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol is sourced from PubChem (CID 104940737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).