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

C11H6BrCl2FOS — CID 61082809

IUPAC(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESOC(c1ccc(Br)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H6BrCl2FOS/c12-5-1-2-6(8(15)3-5)10(16)7-4-9(13)17-11(7)14/h1-4,10,16H
InChIKeyVPYKWHMKDPCFTQ-UHFFFAOYSA-N
MW356.04 g/mol
LogP5.04
Rot. Bonds2

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

(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol (PubChem CID 61082809) has the molecular formula C11H6BrCl2FOS and a molecular weight of 356.04 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
PubChem CID61082809
Molecular FormulaC11H6BrCl2FOS
Molecular Weight356.04 g/mol
Exact Mass353.87
IUPAC Name(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESOC(c1ccc(Br)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H6BrCl2FOS/c12-5-1-2-6(8(15)3-5)10(16)7-4-9(13)17-11(7)14/h1-4,10,16H
InChIKeyVPYKWHMKDPCFTQ-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

(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964287
(2,5-dichlorothiophen-3-yl)-(2-fluorophenyl)methanol
CID 61082413
(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107964322
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-fluorophenyl)methanol
CID 106761336
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082620
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61080476
(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methanol
CID 61087730
(4-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894705
3-[bromo-(4-bromo-2-chlorophenyl)methyl]-2,5-dichlorothiophene
CID 63444900
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The IUPAC name of (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol (CID 61082809) is (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol is OC(c1ccc(Br)cc1F)c1cc(Cl)sc1Cl.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The InChIKey is VPYKWHMKDPCFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2FOS/c12-5-1-2-6(8(15)3-5)10(16)7-4-9(13)17-11(7)14/h1-4,10,16H.
What are the key properties of (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)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 (4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol is sourced from PubChem (CID 61082809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).