(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol

C12H8Br2F2OS — CID 106941526

IUPAC(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol
SMILESCc1sc(C(O)c2c(F)ccc(Br)c2F)cc1Br
InChIInChI=1S/C12H8Br2F2OS/c1-5-7(14)4-9(18-5)12(17)10-8(15)3-2-6(13)11(10)16/h2-4,12,17H,1H3
InChIKeyVSWMOJUZOAYMCC-UHFFFAOYSA-N
MW398.07 g/mol
LogP4.94
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol

(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol (PubChem CID 106941526) has the molecular formula C12H8Br2F2OS and a molecular weight of 398.07 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol
PubChem CID106941526
Molecular FormulaC12H8Br2F2OS
Molecular Weight398.07 g/mol
Exact Mass395.86
IUPAC Name(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol
SMILESCc1sc(C(O)c2c(F)ccc(Br)c2F)cc1Br
InChIInChI=1S/C12H8Br2F2OS/c1-5-7(14)4-9(18-5)12(17)10-8(15)3-2-6(13)11(10)16/h2-4,12,17H,1H3
InChIKeyVSWMOJUZOAYMCC-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.07
LogP ≤ 54.94
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

(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 106941245
(3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 106945171
(4-bromo-5-methylthiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512420
3-bromo-5-[bromo-(2,6-difluoro-3-methylphenyl)methyl]-2-methylthiophene
CID 102835742
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102834844
(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol
CID 106945118
(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287912
(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
CID 102834578
(3-bromo-2,6-difluorophenyl)-(2,5-dimethoxyphenyl)methanol
CID 106941240
N-[(3-bromo-2,6-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106944791
3-bromo-5-[bromo-(3,4,5-trifluorophenyl)methyl]-2-methylthiophene
CID 102835931

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol (CID 106941526) is (3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol is Cc1sc(C(O)c2c(F)ccc(Br)c2F)cc1Br.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol?
The InChIKey is VSWMOJUZOAYMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2F2OS/c1-5-7(14)4-9(18-5)12(17)10-8(15)3-2-6(13)11(10)16/h2-4,12,17H,1H3.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol?
(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol has a molecular weight of 398.07 g/mol, XLogP of 4.94, 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)-(4-bromo-5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 106941526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).