(5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol

C12H7Br2F3OS — CID 107333317

IUPAC(5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(Br)s1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H7Br2F3OS/c13-6-1-2-7(8(5-6)12(15,16)17)11(18)9-3-4-10(14)19-9/h1-5,11,18H
InChIKeyHTDAQMMLQPYYLT-UHFFFAOYSA-N
MW416.06 g/mol
LogP5.37
Rot. Bonds2

About (5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol

(5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol (PubChem CID 107333317) has the molecular formula C12H7Br2F3OS and a molecular weight of 416.06 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol
PubChem CID107333317
Molecular FormulaC12H7Br2F3OS
Molecular Weight416.06 g/mol
Exact Mass413.85
IUPAC Name(5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(Br)s1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H7Br2F3OS/c13-6-1-2-7(8(5-6)12(15,16)17)11(18)9-3-4-10(14)19-9/h1-5,11,18H
InChIKeyHTDAQMMLQPYYLT-UHFFFAOYSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.06
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965
2,5-dibromo-3-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]thiophene
CID 107333377
[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol
CID 62789466
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 62691371
2-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-5-ethylthiophene
CID 107333358
(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512137
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150
[4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol
CID 63968386
ethyl 2-[4-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108846
(5-bromothiophen-2-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045617
3-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,5-dichlorothiophene
CID 107333376
[4-bromo-2-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
CID 104515101

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol (CID 107333317) is (5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol is OC(c1ccc(Br)s1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is HTDAQMMLQPYYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2F3OS/c13-6-1-2-7(8(5-6)12(15,16)17)11(18)9-3-4-10(14)19-9/h1-5,11,18H.
What are the key properties of (5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol?
(5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 416.06 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107333317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).