(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol

C14H9Br2F3O — CID 107978303

IUPAC(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(Br)cc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9Br2F3O/c15-11-5-9(6-12(16)7-11)13(20)8-2-1-3-10(4-8)14(17,18)19/h1-7,13,20H
InChIKeyZARKAKFRTMINGK-UHFFFAOYSA-N
MW410.03 g/mol
LogP5.31
Rot. Bonds2

About (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol

(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 107978303) has the molecular formula C14H9Br2F3O and a molecular weight of 410.03 g/mol. Its IUPAC name is (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol
PubChem CID107978303
Molecular FormulaC14H9Br2F3O
Molecular Weight410.03 g/mol
Exact Mass407.90
IUPAC Name(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(Br)cc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9Br2F3O/c15-11-5-9(6-12(16)7-11)13(20)8-2-1-3-10(4-8)14(17,18)19/h1-7,13,20H
InChIKeyZARKAKFRTMINGK-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.03
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 115792429
(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
pyridin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11425288
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62491180
thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62789605
2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 162511327
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
4-bromo-3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 142416644
(5-bromo-3-methyltriazol-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 106461185
(3,5-dibromophenyl)-(3-ethylphenyl)methanol
CID 107978572

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol (CID 107978303) is (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol is OC(c1cc(Br)cc(Br)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZARKAKFRTMINGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F3O/c15-11-5-9(6-12(16)7-11)13(20)8-2-1-3-10(4-8)14(17,18)19/h1-7,13,20H.
What are the key properties of (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol?
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 410.03 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107978303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).