8-(3,3,3-trifluoropropoxy)quinolin-2-amine

C12H11F3N2O — CID 22254540

IUPAC8-(3,3,3-trifluoropropoxy)quinolin-2-amine
SMILESNc1ccc2cccc(OCCC(F)(F)F)c2n1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)6-7-18-9-3-1-2-8-4-5-10(16)17-11(8)9/h1-5H,6-7H2,(H2,16,17)
InChIKeyZGZSZXFSLMTFBX-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.15
Rot. Bonds3

About 8-(3,3,3-trifluoropropoxy)quinolin-2-amine

8-(3,3,3-trifluoropropoxy)quinolin-2-amine (PubChem CID 22254540) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 8-(3,3,3-trifluoropropoxy)quinolin-2-amine.

Molecular Properties

Compound Name8-(3,3,3-trifluoropropoxy)quinolin-2-amine
PubChem CID22254540
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name8-(3,3,3-trifluoropropoxy)quinolin-2-amine
SMILESNc1ccc2cccc(OCCC(F)(F)F)c2n1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)6-7-18-9-3-1-2-8-4-5-10(16)17-11(8)9/h1-5H,6-7H2,(H2,16,17)
InChIKeyZGZSZXFSLMTFBX-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3,3,3-trifluoropropoxy)quinolin-2-amine?
The IUPAC name of 8-(3,3,3-trifluoropropoxy)quinolin-2-amine (CID 22254540) is 8-(3,3,3-trifluoropropoxy)quinolin-2-amine.
What is the SMILES notation for 8-(3,3,3-trifluoropropoxy)quinolin-2-amine?
The canonical SMILES for 8-(3,3,3-trifluoropropoxy)quinolin-2-amine is Nc1ccc2cccc(OCCC(F)(F)F)c2n1.
What is the InChIKey of 8-(3,3,3-trifluoropropoxy)quinolin-2-amine?
The InChIKey is ZGZSZXFSLMTFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)6-7-18-9-3-1-2-8-4-5-10(16)17-11(8)9/h1-5H,6-7H2,(H2,16,17).
What are the key properties of 8-(3,3,3-trifluoropropoxy)quinolin-2-amine?
8-(3,3,3-trifluoropropoxy)quinolin-2-amine has a molecular weight of 256.23 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3,3-trifluoropropoxy)quinolin-2-amine is sourced from PubChem (CID 22254540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).