(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol

C14H9Br2F3O — CID 63426128

IUPAC(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H9Br2F3O/c15-10-5-6-12(16)11(7-10)13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7,13,20H
InChIKeyFAYACLZZXPKGQX-UHFFFAOYSA-N
MW410.03 g/mol
LogP5.31
Rot. Bonds2

About (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol

(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 63426128) has the molecular formula C14H9Br2F3O and a molecular weight of 410.03 g/mol. Its IUPAC name is (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID63426128
Molecular FormulaC14H9Br2F3O
Molecular Weight410.03 g/mol
Exact Mass407.90
IUPAC Name(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H9Br2F3O/c15-10-5-6-12(16)11(7-10)13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7,13,20H
InChIKeyFAYACLZZXPKGQX-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

(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 61100365
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43104550
(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759051
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292014
(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 63426086
(2,5-dibromophenyl)-(4-propylphenyl)methanol
CID 114374739
[2-bromo-5-(trifluoromethyl)phenyl]-(5-fluoro-3-pyridinyl)methanol
CID 114981057
[2-bromo-5-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 114982412
1-[2-bromo-5-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 115811105
4-bromo-3-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 142416644
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol (CID 63426128) is (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is FAYACLZZXPKGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F3O/c15-10-5-6-12(16)11(7-10)13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7,13,20H.
What are the key properties of (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol?
(2,5-dibromophenyl)-[4-(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 (2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 63426128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).