(4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol

C11H6Br2ClFOS — CID 61081232

IUPAC(4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1ccc(Cl)cc1F)c1cc(Br)sc1Br
InChIInChI=1S/C11H6Br2ClFOS/c12-9-4-7(11(13)17-9)10(16)6-2-1-5(14)3-8(6)15/h1-4,10,16H
InChIKeyUBJWQGGUSIGXIW-UHFFFAOYSA-N
MW400.49 g/mol
LogP5.15
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol

(4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol (PubChem CID 61081232) has the molecular formula C11H6Br2ClFOS and a molecular weight of 400.49 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
PubChem CID61081232
Molecular FormulaC11H6Br2ClFOS
Molecular Weight400.49 g/mol
Exact Mass397.82
IUPAC Name(4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1ccc(Cl)cc1F)c1cc(Br)sc1Br
InChIInChI=1S/C11H6Br2ClFOS/c12-9-4-7(11(13)17-9)10(16)6-2-1-5(14)3-8(6)15/h1-4,10,16H
InChIKeyUBJWQGGUSIGXIW-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol (CID 61081232) is (4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol is OC(c1ccc(Cl)cc1F)c1cc(Br)sc1Br.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The InChIKey is UBJWQGGUSIGXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClFOS/c12-9-4-7(11(13)17-9)10(16)6-2-1-5(14)3-8(6)15/h1-4,10,16H.
What are the key properties of (4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
(4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol has a molecular weight of 400.49 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol is sourced from PubChem (CID 61081232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).