(2-bromophenyl)-(2,5-difluorophenyl)methanol

C13H9BrF2O — CID 61101637

IUPAC(2-bromophenyl)-(2,5-difluorophenyl)methanol
SMILESOC(c1cc(F)ccc1F)c1ccccc1Br
InChIInChI=1S/C13H9BrF2O/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7,13,17H
InChIKeyDKPJCWOAOSJUBS-UHFFFAOYSA-N
MW299.11 g/mol
LogP3.81
Rot. Bonds2

About (2-bromophenyl)-(2,5-difluorophenyl)methanol

(2-bromophenyl)-(2,5-difluorophenyl)methanol (PubChem CID 61101637) has the molecular formula C13H9BrF2O and a molecular weight of 299.11 g/mol. Its IUPAC name is (2-bromophenyl)-(2,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(2-bromophenyl)-(2,5-difluorophenyl)methanol
PubChem CID61101637
Molecular FormulaC13H9BrF2O
Molecular Weight299.11 g/mol
Exact Mass297.98
IUPAC Name(2-bromophenyl)-(2,5-difluorophenyl)methanol
SMILESOC(c1cc(F)ccc1F)c1ccccc1Br
InChIInChI=1S/C13H9BrF2O/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7,13,17H
InChIKeyDKPJCWOAOSJUBS-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-difluorophenyl)-(2-methoxyphenyl)methanol
CID 61100106
(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
CID 107983315
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674233
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 81383317
(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397701
(S)-(2-bromophenyl)-(3-chloro-5-fluorophenyl)methanol
CID 97293464
(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
CID 61101647
(2,5-difluorophenyl)-quinolin-4-ylmethanol
CID 63893789
(2-bromo-5-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 62867633
(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894128
bis(2-fluorophenyl)methanol
CID 18424663

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2,5-difluorophenyl)methanol?
The IUPAC name of (2-bromophenyl)-(2,5-difluorophenyl)methanol (CID 61101637) is (2-bromophenyl)-(2,5-difluorophenyl)methanol.
What is the SMILES notation for (2-bromophenyl)-(2,5-difluorophenyl)methanol?
The canonical SMILES for (2-bromophenyl)-(2,5-difluorophenyl)methanol is OC(c1cc(F)ccc1F)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(2,5-difluorophenyl)methanol?
The InChIKey is DKPJCWOAOSJUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O/c14-11-4-2-1-3-9(11)13(17)10-7-8(15)5-6-12(10)16/h1-7,13,17H.
What are the key properties of (2-bromophenyl)-(2,5-difluorophenyl)methanol?
(2-bromophenyl)-(2,5-difluorophenyl)methanol has a molecular weight of 299.11 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2,5-difluorophenyl)methanol is sourced from PubChem (CID 61101637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).