(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol

C14H9BrF4O2 — CID 63894130

IUPAC(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cccc(OC(F)(F)F)c1)c1cc(Br)ccc1F
InChIInChI=1S/C14H9BrF4O2/c15-9-4-5-12(16)11(7-9)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13,20H
InChIKeyCEIHSMRIEDHREX-UHFFFAOYSA-N
MW365.12 g/mol
LogP4.57
Rot. Bonds3

About (5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol

(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 63894130) has the molecular formula C14H9BrF4O2 and a molecular weight of 365.12 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID63894130
Molecular FormulaC14H9BrF4O2
Molecular Weight365.12 g/mol
Exact Mass363.97
IUPAC Name(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cccc(OC(F)(F)F)c1)c1cc(Br)ccc1F
InChIInChI=1S/C14H9BrF4O2/c15-9-4-5-12(16)11(7-9)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13,20H
InChIKeyCEIHSMRIEDHREX-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

(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63661812
(5-bromo-2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 79721941
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63895294
(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107104966
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904
(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107969653
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol
CID 105113633
(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115566361
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol (CID 63894130) is (5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol is OC(c1cccc(OC(F)(F)F)c1)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is CEIHSMRIEDHREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O2/c15-9-4-5-12(16)11(7-9)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13,20H.
What are the key properties of (5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
(5-bromo-2-fluorophenyl)-[3-(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 (5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 63894130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).