(4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol

C13H7BrF4O — CID 115793233

IUPAC(4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol
SMILESOC(c1cc(F)cc(F)c1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H7BrF4O/c14-7-3-10(17)12(11(18)4-7)13(19)6-1-8(15)5-9(16)2-6/h1-5,13,19H
InChIKeyXAZSOKJOEGSEEB-UHFFFAOYSA-N
MW335.09 g/mol
LogP4.09
Rot. Bonds2

About (4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol

(4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol (PubChem CID 115793233) has the molecular formula C13H7BrF4O and a molecular weight of 335.09 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol
PubChem CID115793233
Molecular FormulaC13H7BrF4O
Molecular Weight335.09 g/mol
Exact Mass333.96
IUPAC Name(4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol
SMILESOC(c1cc(F)cc(F)c1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H7BrF4O/c14-7-3-10(17)12(11(18)4-7)13(19)6-1-8(15)5-9(16)2-6/h1-5,13,19H
InChIKeyXAZSOKJOEGSEEB-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.09
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
1-(4-bromo-2,6-difluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851692
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416
(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
CID 61101647
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
(4-bromo-2,6-difluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794091
(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol
CID 114019455
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 66424633
2-[(3-bromo-5-fluorophenyl)-chloromethyl]-1,3,5-trifluorobenzene
CID 63430505
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol (CID 115793233) is (4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol is OC(c1cc(F)cc(F)c1)c1c(F)cc(Br)cc1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol?
The InChIKey is XAZSOKJOEGSEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4O/c14-7-3-10(17)12(11(18)4-7)13(19)6-1-8(15)5-9(16)2-6/h1-5,13,19H.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol?
(4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol has a molecular weight of 335.09 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol is sourced from PubChem (CID 115793233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).