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

C14H9BrF4O2 — CID 107104966

IUPAC(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cccc(OC(F)(F)F)c1)c1cccc(Br)c1F
InChIInChI=1S/C14H9BrF4O2/c15-11-6-2-5-10(12(11)16)13(20)8-3-1-4-9(7-8)21-14(17,18)19/h1-7,13,20H
InChIKeyGCVDFQPBXIVEOW-UHFFFAOYSA-N
MW365.12 g/mol
LogP4.57
Rot. Bonds3

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

(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 107104966) has the molecular formula C14H9BrF4O2 and a molecular weight of 365.12 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID107104966
Molecular FormulaC14H9BrF4O2
Molecular Weight365.12 g/mol
Exact Mass363.97
IUPAC Name(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cccc(OC(F)(F)F)c1)c1cccc(Br)c1F
InChIInChI=1S/C14H9BrF4O2/c15-11-6-2-5-10(12(11)16)13(20)8-3-1-4-9(7-8)21-14(17,18)19/h1-7,13,20H
InChIKeyGCVDFQPBXIVEOW-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

(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63894130
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63895294
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63661812
(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115566361
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918413
(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107969653

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol (CID 107104966) is (3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol is OC(c1cccc(OC(F)(F)F)c1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is GCVDFQPBXIVEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O2/c15-11-6-2-5-10(12(11)16)13(20)8-3-1-4-9(7-8)21-14(17,18)19/h1-7,13,20H.
What are the key properties of (3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol?
(3-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 (3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 107104966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).