2-tert-butyl-8-fluoroquinolin-3-ol

C13H14FNO — CID 165467627

IUPAC2-tert-butyl-8-fluoroquinolin-3-ol
SMILESCC(C)(C)c1nc2c(F)cccc2cc1O
InChIInChI=1S/C13H14FNO/c1-13(2,3)12-10(16)7-8-5-4-6-9(14)11(8)15-12/h4-7,16H,1-3H3
InChIKeyXROZHGOKLMTTND-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.38
Rot. Bonds

About 2-tert-butyl-8-fluoroquinolin-3-ol

2-tert-butyl-8-fluoroquinolin-3-ol (PubChem CID 165467627) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-tert-butyl-8-fluoroquinolin-3-ol.

Molecular Properties

Compound Name2-tert-butyl-8-fluoroquinolin-3-ol
PubChem CID165467627
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name2-tert-butyl-8-fluoroquinolin-3-ol
SMILESCC(C)(C)c1nc2c(F)cccc2cc1O
InChIInChI=1S/C13H14FNO/c1-13(2,3)12-10(16)7-8-5-4-6-9(14)11(8)15-12/h4-7,16H,1-3H3
InChIKeyXROZHGOKLMTTND-UHFFFAOYSA-N
XLogP3.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-fluoroquinolin-3-ol?
The IUPAC name of 2-tert-butyl-8-fluoroquinolin-3-ol (CID 165467627) is 2-tert-butyl-8-fluoroquinolin-3-ol.
What is the SMILES notation for 2-tert-butyl-8-fluoroquinolin-3-ol?
The canonical SMILES for 2-tert-butyl-8-fluoroquinolin-3-ol is CC(C)(C)c1nc2c(F)cccc2cc1O.
What is the InChIKey of 2-tert-butyl-8-fluoroquinolin-3-ol?
The InChIKey is XROZHGOKLMTTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-13(2,3)12-10(16)7-8-5-4-6-9(14)11(8)15-12/h4-7,16H,1-3H3.
What are the key properties of 2-tert-butyl-8-fluoroquinolin-3-ol?
2-tert-butyl-8-fluoroquinolin-3-ol has a molecular weight of 219.26 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-fluoroquinolin-3-ol is sourced from PubChem (CID 165467627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).