2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol

C13H11BrF2OS — CID 115524905

IUPAC2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(Br)s1)c1ccc(C(F)F)cc1
InChIInChI=1S/C13H11BrF2OS/c14-12-6-5-10(18-12)7-11(17)8-1-3-9(4-2-8)13(15)16/h1-6,11,13,17H,7H2
InChIKeyFEGCXOOIOJUWHG-UHFFFAOYSA-N
MW333.20 g/mol
LogP4.72
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol

2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol (PubChem CID 115524905) has the molecular formula C13H11BrF2OS and a molecular weight of 333.20 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol
PubChem CID115524905
Molecular FormulaC13H11BrF2OS
Molecular Weight333.20 g/mol
Exact Mass331.97
IUPAC Name2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(Br)s1)c1ccc(C(F)F)cc1
InChIInChI=1S/C13H11BrF2OS/c14-12-6-5-10(18-12)7-11(17)8-1-3-9(4-2-8)13(15)16/h1-6,11,13,17H,7H2
InChIKeyFEGCXOOIOJUWHG-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol
CID 66423442
1-(3-bromophenyl)-2-(5-bromothiophen-2-yl)ethanol
CID 62606111
2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol
CID 62606126
1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62607206
2-(5-bromothiophen-2-yl)-1-thiophen-2-ylethanol
CID 62607214
1-[4-(difluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanol
CID 112642081
2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 63083123
1-[4-(difluoromethyl)phenyl]-2-phenylethanol
CID 115524931
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712943
2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 65149874
[2-(5-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192594
1-(5-bromothiophen-2-yl)-4-ethylhexane-2,3-diol
CID 103459887

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol (CID 115524905) is 2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol is OC(Cc1ccc(Br)s1)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol?
The InChIKey is FEGCXOOIOJUWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2OS/c14-12-6-5-10(18-12)7-11(17)8-1-3-9(4-2-8)13(15)16/h1-6,11,13,17H,7H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol?
2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol has a molecular weight of 333.20 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115524905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).