2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol

C12H8Br2ClFOS — CID 114022310

IUPAC2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1cc(Br)sc1Br
InChIInChI=1S/C12H8Br2ClFOS/c13-11-5-8(12(14)18-11)10(17)4-6-3-7(15)1-2-9(6)16/h1-3,5,10,17H,4H2
InChIKeySEOIESVJDLMLSJ-UHFFFAOYSA-N
MW414.52 g/mol
LogP5.34
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol

2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol (PubChem CID 114022310) has the molecular formula C12H8Br2ClFOS and a molecular weight of 414.52 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
PubChem CID114022310
Molecular FormulaC12H8Br2ClFOS
Molecular Weight414.52 g/mol
Exact Mass411.83
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
SMILESOC(Cc1cc(Cl)ccc1F)c1cc(Br)sc1Br
InChIInChI=1S/C12H8Br2ClFOS/c13-11-5-8(12(14)18-11)10(17)4-6-3-7(15)1-2-9(6)16/h1-3,5,10,17H,4H2
InChIKeySEOIESVJDLMLSJ-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.52
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol
CID 63426686
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol
CID 61081038
2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 63083123
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053350
2-(5-chloro-2-fluorophenyl)-1-pyridin-4-ylethanol
CID 103047540
2-(5-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 103048202
2,5-dibromo-3-[1-chloro-2-(2-fluorophenyl)ethyl]thiophene
CID 55197766
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103048373
(2-chloro-3-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 81461521

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol (CID 114022310) is 2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol is OC(Cc1cc(Cl)ccc1F)c1cc(Br)sc1Br.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol?
The InChIKey is SEOIESVJDLMLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2ClFOS/c13-11-5-8(12(14)18-11)10(17)4-6-3-7(15)1-2-9(6)16/h1-3,5,10,17H,4H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol?
2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol has a molecular weight of 414.52 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol is sourced from PubChem (CID 114022310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).