(3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol

C15H8BrF3OS — CID 106945171

IUPAC(3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc2ccc(F)cc2s1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H8BrF3OS/c16-9-3-4-10(18)13(14(9)19)15(20)12-5-7-1-2-8(17)6-11(7)21-12/h1-6,15,20H
InChIKeySTXBQPZWDLURCS-UHFFFAOYSA-N
MW373.19 g/mol
LogP5.16
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol

(3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 106945171) has the molecular formula C15H8BrF3OS and a molecular weight of 373.19 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID106945171
Molecular FormulaC15H8BrF3OS
Molecular Weight373.19 g/mol
Exact Mass371.94
IUPAC Name(3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cc2ccc(F)cc2s1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H8BrF3OS/c16-9-3-4-10(18)13(14(9)19)15(20)12-5-7-1-2-8(17)6-11(7)21-12/h1-6,15,20H
InChIKeySTXBQPZWDLURCS-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_1', 'substructure': 'N/A'}

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Related Compounds

(2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104668
(5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 115820659
(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104251
(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol
CID 106941526
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 106941245
2-[bromo-(3-bromo-4-fluorophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81105092
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81105622
2-[bromo-(2,5-dibromophenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104395
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
2-(2,4-difluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 81105961
(4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 102828053
2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115785055

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol (CID 106945171) is (3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol is OC(c1cc2ccc(F)cc2s1)c1c(F)ccc(Br)c1F.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is STXBQPZWDLURCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3OS/c16-9-3-4-10(18)13(14(9)19)15(20)12-5-7-1-2-8(17)6-11(7)21-12/h1-6,15,20H.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
(3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)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 (3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 106945171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).