2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol

C12H15BrF2OS — CID 114215734

IUPAC2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol
SMILESOC(Cc1ccc(Br)s1)C1CCCC(F)(F)C1
InChIInChI=1S/C12H15BrF2OS/c13-11-4-3-9(17-11)6-10(16)8-2-1-5-12(14,15)7-8/h3-4,8,10,16H,1-2,5-7H2
InChIKeyRTKDNVYUUVVIHG-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.24
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol

2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol (PubChem CID 114215734) has the molecular formula C12H15BrF2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol
PubChem CID114215734
Molecular FormulaC12H15BrF2OS
Molecular Weight325.22 g/mol
Exact Mass324.00
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol
SMILESOC(Cc1ccc(Br)s1)C1CCCC(F)(F)C1
InChIInChI=1S/C12H15BrF2OS/c13-11-4-3-9(17-11)6-10(16)8-2-1-5-12(14,15)7-8/h3-4,8,10,16H,1-2,5-7H2
InChIKeyRTKDNVYUUVVIHG-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol (CID 114215734) is 2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol is OC(Cc1ccc(Br)s1)C1CCCC(F)(F)C1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol?
The InChIKey is RTKDNVYUUVVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2OS/c13-11-4-3-9(17-11)6-10(16)8-2-1-5-12(14,15)7-8/h3-4,8,10,16H,1-2,5-7H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol?
2-(5-bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol has a molecular weight of 325.22 g/mol, XLogP of 4.24, 3 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-(3,3-difluorocyclohexyl)ethanol is sourced from PubChem (CID 114215734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).