(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol

C11H5Br3ClFOS — CID 107964399

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1cc(Cl)c(Br)cc1F)c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br3ClFOS/c12-6-3-8(16)4(1-7(6)15)10(17)5-2-9(13)18-11(5)14/h1-3,10,17H
InChIKeyLOQDGIRXTSJTBL-UHFFFAOYSA-N
MW479.39 g/mol
LogP5.91
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol

(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol (PubChem CID 107964399) has the molecular formula C11H5Br3ClFOS and a molecular weight of 479.39 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
PubChem CID107964399
Molecular FormulaC11H5Br3ClFOS
Molecular Weight479.39 g/mol
Exact Mass475.73
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1cc(Cl)c(Br)cc1F)c1cc(Br)sc1Br
InChIInChI=1S/C11H5Br3ClFOS/c12-6-3-8(16)4(1-7(6)15)10(17)5-2-9(13)18-11(5)14/h1-3,10,17H
InChIKeyLOQDGIRXTSJTBL-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107961395
(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 81461521
(4-bromo-5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methanol
CID 105399338
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-chlorophenyl)methanol
CID 107991356
(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 61082422
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol
CID 107955780
(2,5-dibromothiophen-3-yl)-(2,5-dichloro-4-methoxyphenyl)methanol
CID 107964358
(2-bromo-6-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 114269187
(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964287
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 105399342
(4-bromo-5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 105399490

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol (CID 107964399) is (4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol is OC(c1cc(Cl)c(Br)cc1F)c1cc(Br)sc1Br.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The InChIKey is LOQDGIRXTSJTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br3ClFOS/c12-6-3-8(16)4(1-7(6)15)10(17)5-2-9(13)18-11(5)14/h1-3,10,17H.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol has a molecular weight of 479.39 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol is sourced from PubChem (CID 107964399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).