(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol

C13H8BrClF2O — CID 79743340

IUPAC(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol
SMILESOC(c1cc(Br)ccc1F)c1c(F)cccc1Cl
InChIInChI=1S/C13H8BrClF2O/c14-7-4-5-10(16)8(6-7)13(18)12-9(15)2-1-3-11(12)17/h1-6,13,18H
InChIKeyVBMQUCKXKSWJMM-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.46
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol

(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol (PubChem CID 79743340) has the molecular formula C13H8BrClF2O and a molecular weight of 333.56 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol
PubChem CID79743340
Molecular FormulaC13H8BrClF2O
Molecular Weight333.56 g/mol
Exact Mass331.94
IUPAC Name(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol
SMILESOC(c1cc(Br)ccc1F)c1c(F)cccc1Cl
InChIInChI=1S/C13H8BrClF2O/c14-7-4-5-10(16)8(6-7)13(18)12-9(15)2-1-3-11(12)17/h1-6,13,18H
InChIKeyVBMQUCKXKSWJMM-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-6-fluorophenyl)-(2,4-dichlorophenyl)methanol
CID 61271392
(2,5-dibromophenyl)-(2,6-dichlorophenyl)methanol
CID 63425825
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 63017670
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol
CID 65186668
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61087673
(2-chloro-6-fluorophenyl)-(3-fluorophenyl)methanol
CID 63896004
1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene
CID 63443899
(2-bromo-6-fluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 114885762
(5-bromo-2-fluorophenyl)-naphthalen-1-ylmethanol
CID 63894699
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine
CID 115839362
(3-bromo-5-chlorophenyl)-(2,6-difluorophenyl)methanol
CID 114019455

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol (CID 79743340) is (5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol is OC(c1cc(Br)ccc1F)c1c(F)cccc1Cl.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol?
The InChIKey is VBMQUCKXKSWJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2O/c14-7-4-5-10(16)8(6-7)13(18)12-9(15)2-1-3-11(12)17/h1-6,13,18H.
What are the key properties of (5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol?
(5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol has a molecular weight of 333.56 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2-chloro-6-fluorophenyl)methanol is sourced from PubChem (CID 79743340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).