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

C12H7Br2F3OS — CID 80535506

IUPAC(4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(Br)c(Br)s1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H7Br2F3OS/c13-8-5-9(19-11(8)14)10(18)6-3-1-2-4-7(6)12(15,16)17/h1-5,10,18H
InChIKeyHWDMJTABXOPSBU-UHFFFAOYSA-N
MW416.06 g/mol
LogP5.37
Rot. Bonds2

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

(4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 80535506) has the molecular formula C12H7Br2F3OS and a molecular weight of 416.06 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID80535506
Molecular FormulaC12H7Br2F3OS
Molecular Weight416.06 g/mol
Exact Mass413.85
IUPAC Name(4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(Br)c(Br)s1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H7Br2F3OS/c13-8-5-9(19-11(8)14)10(18)6-3-1-2-4-7(6)12(15,16)17/h1-5,10,18H
InChIKeyHWDMJTABXOPSBU-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

(5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 80532331
2,3-dibromo-5-[chloro-[2-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
CID 80534598
(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63894639
(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63893476
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 81437311
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011
(4,5-dibromothiophen-2-yl)-(5-fluoro-2-methylphenyl)methanol
CID 80535288
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 66424632
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796079
(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535532
2,3-dibromo-5-[bromo-(2-fluorophenyl)methyl]thiophene
CID 80534470

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol (CID 80535506) is (4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol is OC(c1cc(Br)c(Br)s1)c1ccccc1C(F)(F)F.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is HWDMJTABXOPSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2F3OS/c13-8-5-9(19-11(8)14)10(18)6-3-1-2-4-7(6)12(15,16)17/h1-5,10,18H.
What are the key properties of (4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol?
(4,5-dibromothiophen-2-yl)-[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 (4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 80535506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).