2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol

C13H13F3N2O — CID 177288237

IUPAC2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol
SMILESCC(C)(O)c1cc(N)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H13F3N2O/c1-12(2,19)9-6-10(17)18-11-7(9)4-3-5-8(11)13(14,15)16/h3-6,19H,1-2H3,(H2,17,18)
InChIKeyLUBNIVPNIZKINE-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.06
Rot. Bonds1

About 2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol

2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol (PubChem CID 177288237) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol
PubChem CID177288237
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol
SMILESCC(C)(O)c1cc(N)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H13F3N2O/c1-12(2,19)9-6-10(17)18-11-7(9)4-3-5-8(11)13(14,15)16/h3-6,19H,1-2H3,(H2,17,18)
InChIKeyLUBNIVPNIZKINE-UHFFFAOYSA-N
XLogP3.06
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol?
The IUPAC name of 2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol (CID 177288237) is 2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol is CC(C)(O)c1cc(N)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol?
The InChIKey is LUBNIVPNIZKINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-12(2,19)9-6-10(17)18-11-7(9)4-3-5-8(11)13(14,15)16/h3-6,19H,1-2H3,(H2,17,18).
What are the key properties of 2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol?
2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol has a molecular weight of 270.25 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-8-(trifluoromethyl)quinolin-4-yl]propan-2-ol is sourced from PubChem (CID 177288237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).