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

C13H10BrF3OS — CID 62116122

IUPAC1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)s1
InChIInChI=1S/C13H10BrF3OS/c14-12-6-5-11(19-12)10(18)7-8-1-3-9(4-2-8)13(15,16)17/h1-6,10,18H,7H2
InChIKeyXAVUGWBDDBMNTD-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.81
Rot. Bonds3

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

1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 62116122) has the molecular formula C13H10BrF3OS and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID62116122
Molecular FormulaC13H10BrF3OS
Molecular Weight351.19 g/mol
Exact Mass349.96
IUPAC Name1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)s1
InChIInChI=1S/C13H10BrF3OS/c14-12-6-5-11(19-12)10(18)7-8-1-3-9(4-2-8)13(15,16)17/h1-6,10,18H,7H2
InChIKeyXAVUGWBDDBMNTD-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]thiophene
CID 63435106
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 80535664
1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102829532
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
CID 63893838
2-(5-bromothiophen-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087304
1-(5-bromothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346774
1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 81476241
2-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65479087
[1-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299672
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
3-[1-(5-bromothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 115712100
1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102842312

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 62116122) is 1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is OC(Cc1ccc(C(F)(F)F)cc1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is XAVUGWBDDBMNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3OS/c14-12-6-5-11(19-12)10(18)7-8-1-3-9(4-2-8)13(15,16)17/h1-6,10,18H,7H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 351.19 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 62116122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).