(4-bromothiophen-2-yl)-(3-fluorophenyl)methanol

C11H8BrFOS — CID 21183834

IUPAC(4-bromothiophen-2-yl)-(3-fluorophenyl)methanol
SMILESOC(c1cccc(F)c1)c1cc(Br)cs1
InChIInChI=1S/C11H8BrFOS/c12-8-5-10(15-6-8)11(14)7-2-1-3-9(13)4-7/h1-6,11,14H
InChIKeyYSKFPDYIKYAGPZ-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.73
Rot. Bonds2

About (4-bromothiophen-2-yl)-(3-fluorophenyl)methanol

(4-bromothiophen-2-yl)-(3-fluorophenyl)methanol (PubChem CID 21183834) has the molecular formula C11H8BrFOS and a molecular weight of 287.15 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(3-fluorophenyl)methanol
PubChem CID21183834
Molecular FormulaC11H8BrFOS
Molecular Weight287.15 g/mol
Exact Mass285.95
IUPAC Name(4-bromothiophen-2-yl)-(3-fluorophenyl)methanol
SMILESOC(c1cccc(F)c1)c1cc(Br)cs1
InChIInChI=1S/C11H8BrFOS/c12-8-5-10(15-6-8)11(14)7-2-1-3-9(13)4-7/h1-6,11,14H
InChIKeyYSKFPDYIKYAGPZ-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(3-fluorophenyl)methanol?
The IUPAC name of (4-bromothiophen-2-yl)-(3-fluorophenyl)methanol (CID 21183834) is (4-bromothiophen-2-yl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (4-bromothiophen-2-yl)-(3-fluorophenyl)methanol?
The canonical SMILES for (4-bromothiophen-2-yl)-(3-fluorophenyl)methanol is OC(c1cccc(F)c1)c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)-(3-fluorophenyl)methanol?
The InChIKey is YSKFPDYIKYAGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFOS/c12-8-5-10(15-6-8)11(14)7-2-1-3-9(13)4-7/h1-6,11,14H.
What are the key properties of (4-bromothiophen-2-yl)-(3-fluorophenyl)methanol?
(4-bromothiophen-2-yl)-(3-fluorophenyl)methanol has a molecular weight of 287.15 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 21183834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).