(5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol

C11H7BrClFOS — CID 61081745

IUPAC(5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol
SMILESOC(c1ccc(Br)s1)c1c(F)cccc1Cl
InChIInChI=1S/C11H7BrClFOS/c12-9-5-4-8(16-9)11(15)10-6(13)2-1-3-7(10)14/h1-5,11,15H
InChIKeyVSIOWSZYVFAYIF-UHFFFAOYSA-N
MW321.60 g/mol
LogP4.38
Rot. Bonds2

About (5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol

(5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol (PubChem CID 61081745) has the molecular formula C11H7BrClFOS and a molecular weight of 321.60 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol
PubChem CID61081745
Molecular FormulaC11H7BrClFOS
Molecular Weight321.60 g/mol
Exact Mass319.91
IUPAC Name(5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol
SMILESOC(c1ccc(Br)s1)c1c(F)cccc1Cl
InChIInChI=1S/C11H7BrClFOS/c12-9-5-4-8(16-9)11(15)10-6(13)2-1-3-7(10)14/h1-5,11,15H
InChIKeyVSIOWSZYVFAYIF-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 (5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol (CID 61081745) is (5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol is OC(c1ccc(Br)s1)c1c(F)cccc1Cl.
What is the InChIKey of (5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol?
The InChIKey is VSIOWSZYVFAYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFOS/c12-9-5-4-8(16-9)11(15)10-6(13)2-1-3-7(10)14/h1-5,11,15H.
What are the key properties of (5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol?
(5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)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 (5-bromothiophen-2-yl)-(2-chloro-6-fluorophenyl)methanol is sourced from PubChem (CID 61081745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).