(2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol

C14H9BrF4O2 — CID 114885764

IUPAC(2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccccc1OC(F)(F)F)c1c(F)cccc1Br
InChIInChI=1S/C14H9BrF4O2/c15-9-5-3-6-10(16)12(9)13(20)8-4-1-2-7-11(8)21-14(17,18)19/h1-7,13,20H
InChIKeyFRFUSDFDZOFPSL-UHFFFAOYSA-N
MW365.12 g/mol
LogP4.57
Rot. Bonds3

About (2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol

(2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol (PubChem CID 114885764) has the molecular formula C14H9BrF4O2 and a molecular weight of 365.12 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
PubChem CID114885764
Molecular FormulaC14H9BrF4O2
Molecular Weight365.12 g/mol
Exact Mass363.97
IUPAC Name(2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccccc1OC(F)(F)F)c1c(F)cccc1Br
InChIInChI=1S/C14H9BrF4O2/c15-9-5-3-6-10(16)12(9)13(20)8-4-1-2-7-11(8)21-14(17,18)19/h1-7,13,20H
InChIKeyFRFUSDFDZOFPSL-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.12
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63895624
(2-bromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 62791669
(3-bromo-2-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792552
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
(3,5-dibromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107978305
(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 114560508
(2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 114885677
(4-bromo-3-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792558
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792609
(4-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792623
(2-bromo-6-fluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 114885762
(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methanol
CID 114560429

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol (CID 114885764) is (2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol is OC(c1ccccc1OC(F)(F)F)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is FRFUSDFDZOFPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O2/c15-9-5-3-6-10(16)12(9)13(20)8-4-1-2-7-11(8)21-14(17,18)19/h1-7,13,20H.
What are the key properties of (2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol?
(2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 365.12 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 (2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 114885764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).