2-tert-butyl-5,8-difluoroquinolin-4-amine

C13H14F2N2 — CID 62203255

IUPAC2-tert-butyl-5,8-difluoroquinolin-4-amine
SMILESCC(C)(C)c1cc(N)c2c(F)ccc(F)c2n1
InChIInChI=1S/C13H14F2N2/c1-13(2,3)10-6-9(16)11-7(14)4-5-8(15)12(11)17-10/h4-6H,1-3H3,(H2,16,17)
InChIKeyRSNNORCXHIPMIA-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.39
Rot. Bonds

About 2-tert-butyl-5,8-difluoroquinolin-4-amine

2-tert-butyl-5,8-difluoroquinolin-4-amine (PubChem CID 62203255) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-tert-butyl-5,8-difluoroquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5,8-difluoroquinolin-4-amine
PubChem CID62203255
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name2-tert-butyl-5,8-difluoroquinolin-4-amine
SMILESCC(C)(C)c1cc(N)c2c(F)ccc(F)c2n1
InChIInChI=1S/C13H14F2N2/c1-13(2,3)10-6-9(16)11-7(14)4-5-8(15)12(11)17-10/h4-6H,1-3H3,(H2,16,17)
InChIKeyRSNNORCXHIPMIA-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,8-difluoroquinolin-4-amine?
The IUPAC name of 2-tert-butyl-5,8-difluoroquinolin-4-amine (CID 62203255) is 2-tert-butyl-5,8-difluoroquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-5,8-difluoroquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-5,8-difluoroquinolin-4-amine is CC(C)(C)c1cc(N)c2c(F)ccc(F)c2n1.
What is the InChIKey of 2-tert-butyl-5,8-difluoroquinolin-4-amine?
The InChIKey is RSNNORCXHIPMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-13(2,3)10-6-9(16)11-7(14)4-5-8(15)12(11)17-10/h4-6H,1-3H3,(H2,16,17).
What are the key properties of 2-tert-butyl-5,8-difluoroquinolin-4-amine?
2-tert-butyl-5,8-difluoroquinolin-4-amine has a molecular weight of 236.26 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,8-difluoroquinolin-4-amine is sourced from PubChem (CID 62203255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).