2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol

C13H16BrF3OS — CID 105091001

IUPAC2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1sccc1Br)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H16BrF3OS/c14-10-5-6-19-12(10)7-11(18)8-1-3-9(4-2-8)13(15,16)17/h5-6,8-9,11,18H,1-4,7H2
InChIKeyAIBAVRUVKYWOCM-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.78
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol

2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 105091001) has the molecular formula C13H16BrF3OS and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID105091001
Molecular FormulaC13H16BrF3OS
Molecular Weight357.24 g/mol
Exact Mass356.01
IUPAC Name2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
SMILESOC(Cc1sccc1Br)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H16BrF3OS/c14-10-5-6-19-12(10)7-11(18)8-1-3-9(4-2-8)13(15,16)17/h5-6,8-9,11,18H,1-4,7H2
InChIKeyAIBAVRUVKYWOCM-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol
CID 65148115
2-(1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105115363
1-(3-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312488
1-(3-bromothiophen-2-yl)-3-cycloheptylpropan-2-ol
CID 115790916
N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105173018
3-(3-bromothiophen-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83148633
1-(3-bromothiophen-2-yl)-3-cyclopropyl-N-methylbutan-2-amine
CID 115849121
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105299515
3-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
CID 83149751
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788030
2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanol
CID 62606491

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol (CID 105091001) is 2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol is OC(Cc1sccc1Br)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is AIBAVRUVKYWOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3OS/c14-10-5-6-19-12(10)7-11(18)8-1-3-9(4-2-8)13(15,16)17/h5-6,8-9,11,18H,1-4,7H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol?
2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 357.24 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 105091001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).