(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol

C15H8BrF3OS — CID 81128771

IUPAC(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)c(F)c1)c1csc2c(Br)cccc12
InChIInChI=1S/C15H8BrF3OS/c16-10-3-1-2-8-9(6-21-15(8)10)14(20)7-4-11(17)13(19)12(18)5-7/h1-6,14,20H
InChIKeySEBCSDJUOCAJIU-UHFFFAOYSA-N
MW373.19 g/mol
LogP5.16
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol

(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol (PubChem CID 81128771) has the molecular formula C15H8BrF3OS and a molecular weight of 373.19 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
PubChem CID81128771
Molecular FormulaC15H8BrF3OS
Molecular Weight373.19 g/mol
Exact Mass371.94
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)c(F)c1)c1csc2c(Br)cccc12
InChIInChI=1S/C15H8BrF3OS/c16-10-3-1-2-8-9(6-21-15(8)10)14(20)7-4-11(17)13(19)12(18)5-7/h1-6,14,20H
InChIKeySEBCSDJUOCAJIU-UHFFFAOYSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.19
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(2,3-difluorophenyl)methanol
CID 81153735
(7-bromo-1-benzothiophen-3-yl)-(5-bromo-2-fluorophenyl)methanol
CID 81154055
(7-bromo-1-benzothiophen-3-yl)-(3-methylphenyl)methanol
CID 81153234
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-5-methylphenyl)methanol
CID 81153432
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-5-methylphenyl)methanol
CID 81324957
(7-bromo-1-benzothiophen-3-yl)-(2-fluoro-6-methoxyphenyl)methanol
CID 81128494
(7-bromo-1-benzothiophen-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81128772
(7-bromo-1-benzothiophen-3-yl)-(2-iodophenyl)methanol
CID 81153133
(7-bromo-1-benzothiophen-3-yl)-(4-bromo-2-chlorophenyl)methanol
CID 81153521
7-bromo-3-[chloro-(3-fluoro-4-methylphenyl)methyl]-1-benzothiophene
CID 81154172
7-bromo-3-[bromo-(2-fluorophenyl)methyl]-1-benzothiophene
CID 81147103
7-bromo-3-[chloro-(2,4,6-trifluorophenyl)methyl]-1-benzothiophene
CID 81129145

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol (CID 81128771) is (7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol is OC(c1cc(F)c(F)c(F)c1)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol?
The InChIKey is SEBCSDJUOCAJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3OS/c16-10-3-1-2-8-9(6-21-15(8)10)14(20)7-4-11(17)13(19)12(18)5-7/h1-6,14,20H.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol?
(7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol has a molecular weight of 373.19 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 81128771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).