2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C12H6BrF6NO — CID 121303156

IUPAC2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(Br)c2cccnc12)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H6BrF6NO/c13-8-4-3-7(9-6(8)2-1-5-20-9)10(21,11(14,15)16)12(17,18)19/h1-5,21H
InChIKeyNJJBPFQKJLUXMG-UHFFFAOYSA-N
MW374.08 g/mol
LogP4.31
Rot. Bonds1

About 2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 121303156) has the molecular formula C12H6BrF6NO and a molecular weight of 374.08 g/mol. Its IUPAC name is 2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID121303156
Molecular FormulaC12H6BrF6NO
Molecular Weight374.08 g/mol
Exact Mass372.95
IUPAC Name2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1ccc(Br)c2cccnc12)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H6BrF6NO/c13-8-4-3-7(9-6(8)2-1-5-20-9)10(21,11(14,15)16)12(17,18)19/h1-5,21H
InChIKeyNJJBPFQKJLUXMG-UHFFFAOYSA-N
XLogP4.31
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 121303156) is 2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1ccc(Br)c2cccnc12)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is NJJBPFQKJLUXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF6NO/c13-8-4-3-7(9-6(8)2-1-5-20-9)10(21,11(14,15)16)12(17,18)19/h1-5,21H.
What are the key properties of 2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 374.08 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoquinolin-8-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 121303156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).