1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol

C12H8BrClF2OS — CID 80532007

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1F)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H8BrClF2OS/c13-12-7(14)5-10(18-12)9(17)4-6-2-1-3-8(15)11(6)16/h1-3,5,9,17H,4H2
InChIKeyKVYMVWPOSYGVPR-UHFFFAOYSA-N
MW353.62 g/mol
LogP4.72
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol

1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol (PubChem CID 80532007) has the molecular formula C12H8BrClF2OS and a molecular weight of 353.62 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol
PubChem CID80532007
Molecular FormulaC12H8BrClF2OS
Molecular Weight353.62 g/mol
Exact Mass351.91
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1F)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H8BrClF2OS/c13-12-7(14)5-10(18-12)9(17)4-6-2-1-3-8(15)11(6)16/h1-3,5,9,17H,4H2
InChIKeyKVYMVWPOSYGVPR-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.62
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanamine
CID 80530725
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 80531238
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 80532302
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857075
2,3-dibromo-5-[1-chloro-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534257
1-(3,4-dichlorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65151174
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 80531983
2,3-dibromo-5-[1-bromo-2-(2,3-difluorophenyl)ethyl]thiophene
CID 80534309
1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65148052
1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 106859159
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-(2-bromo-6-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857500

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol (CID 80532007) is 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol is OC(Cc1cccc(F)c1F)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol?
The InChIKey is KVYMVWPOSYGVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2OS/c13-12-7(14)5-10(18-12)9(17)4-6-2-1-3-8(15)11(6)16/h1-3,5,9,17H,4H2.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol?
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol has a molecular weight of 353.62 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,3-difluorophenyl)ethanol is sourced from PubChem (CID 80532007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).