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

C11H6Br3FOS — CID 61082422

IUPAC(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1ccc(F)cc1Br)c1cc(Br)sc1Br
InChIInChI=1S/C11H6Br3FOS/c12-8-3-5(15)1-2-6(8)10(16)7-4-9(13)17-11(7)14/h1-4,10,16H
InChIKeyZWROJYYADSLOKD-UHFFFAOYSA-N
MW444.95 g/mol
LogP5.26
Rot. Bonds2

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

(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol (PubChem CID 61082422) has the molecular formula C11H6Br3FOS and a molecular weight of 444.95 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
PubChem CID61082422
Molecular FormulaC11H6Br3FOS
Molecular Weight444.95 g/mol
Exact Mass441.77
IUPAC Name(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1ccc(F)cc1Br)c1cc(Br)sc1Br
InChIInChI=1S/C11H6Br3FOS/c12-8-3-5(15)1-2-6(8)10(16)7-4-9(13)17-11(7)14/h1-4,10,16H
InChIKeyZWROJYYADSLOKD-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.95
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 113400075
2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 55198340
(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 81461521
(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 107964399
(2-bromo-4-fluorophenyl)-(2,3-dichlorophenyl)methanol
CID 115793021
(2-bromo-4-fluorophenyl)-(3-bromothiophen-2-yl)methanol
CID 80535969
(5-bromo-2-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 63426559
(2,5-dibromothiophen-3-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 114022284
1-(2-bromo-4-fluorophenyl)-2,2-difluoroethanol
CID 103947015
(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpropan-1-ol
CID 130739633
2-(2-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 114022096
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol (CID 61082422) is (2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol is OC(c1ccc(F)cc1Br)c1cc(Br)sc1Br.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The InChIKey is ZWROJYYADSLOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3FOS/c12-8-3-5(15)1-2-6(8)10(16)7-4-9(13)17-11(7)14/h1-4,10,16H.
What are the key properties of (2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
(2-bromo-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol has a molecular weight of 444.95 g/mol, XLogP of 5.26, 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)-(2,5-dibromothiophen-3-yl)methanol is sourced from PubChem (CID 61082422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).