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

C11H7BrClFOS — CID 61086688

IUPAC(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol
SMILESOC(c1ccc(Cl)s1)c1ccc(F)cc1Br
InChIInChI=1S/C11H7BrClFOS/c12-8-5-6(14)1-2-7(8)11(15)9-3-4-10(13)16-9/h1-5,11,15H
InChIKeyZRQFUNHPPOUPPT-UHFFFAOYSA-N
MW321.60 g/mol
LogP4.38
Rot. Bonds2

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

(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol (PubChem CID 61086688) has the molecular formula C11H7BrClFOS and a molecular weight of 321.60 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol
PubChem CID61086688
Molecular FormulaC11H7BrClFOS
Molecular Weight321.60 g/mol
Exact Mass319.91
IUPAC Name(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol
SMILESOC(c1ccc(Cl)s1)c1ccc(F)cc1Br
InChIInChI=1S/C11H7BrClFOS/c12-8-5-6(14)1-2-7(8)11(15)9-3-4-10(13)16-9/h1-5,11,15H
InChIKeyZRQFUNHPPOUPPT-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol (CID 61086688) is (2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol is OC(c1ccc(Cl)s1)c1ccc(F)cc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol?
The InChIKey is ZRQFUNHPPOUPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFOS/c12-8-5-6(14)1-2-7(8)11(15)9-3-4-10(13)16-9/h1-5,11,15H.
What are the key properties of (2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol?
(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol has a molecular weight of 321.60 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 61086688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).