(5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol

C11H6BrCl2FOS — CID 80532328

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
SMILESOC(c1cc(Cl)c(Br)s1)c1ccc(Cl)cc1F
InChIInChI=1S/C11H6BrCl2FOS/c12-11-7(14)4-9(17-11)10(16)6-2-1-5(13)3-8(6)15/h1-4,10,16H
InChIKeyKZERGGFAAZRSLF-UHFFFAOYSA-N
MW356.04 g/mol
LogP5.04
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol

(5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol (PubChem CID 80532328) has the molecular formula C11H6BrCl2FOS and a molecular weight of 356.04 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
PubChem CID80532328
Molecular FormulaC11H6BrCl2FOS
Molecular Weight356.04 g/mol
Exact Mass353.87
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
SMILESOC(c1cc(Cl)c(Br)s1)c1ccc(Cl)cc1F
InChIInChI=1S/C11H6BrCl2FOS/c12-11-7(14)4-9(17-11)10(16)6-2-1-5(13)3-8(6)15/h1-4,10,16H
InChIKeyKZERGGFAAZRSLF-UHFFFAOYSA-N
XLogP5.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.04
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol
CID 79992530
2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene
CID 80533517
(5-bromo-4-chlorothiophen-2-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 80532331
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398
(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782299
(2-chloro-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 105394068
(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530486
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535475
(5-bromo-4-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 79996742
2-bromo-5-[bromo-(3-chloro-4-fluorophenyl)methyl]-3-chlorothiophene
CID 82879819
2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 63083123
(5-bromo-4-chlorothiophen-2-yl)-(furan-3-yl)methanol
CID 80532151

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol (CID 80532328) is (5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol is OC(c1cc(Cl)c(Br)s1)c1ccc(Cl)cc1F.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol?
The InChIKey is KZERGGFAAZRSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2FOS/c12-11-7(14)4-9(17-11)10(16)6-2-1-5(13)3-8(6)15/h1-4,10,16H.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol?
(5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol has a molecular weight of 356.04 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(4-chloro-2-fluorophenyl)methanol is sourced from PubChem (CID 80532328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).