8-phenyl-2-(trifluoromethyl)quinolin-4-amine

C16H11F3N2 — CID 62204120

IUPAC8-phenyl-2-(trifluoromethyl)quinolin-4-amine
SMILESNc1cc(C(F)(F)F)nc2c(-c3ccccc3)cccc12
InChIInChI=1S/C16H11F3N2/c17-16(18,19)14-9-13(20)12-8-4-7-11(15(12)21-14)10-5-2-1-3-6-10/h1-9H,(H2,20,21)
InChIKeyNVSYXIOQNBTSOV-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.50
Rot. Bonds1

About 8-phenyl-2-(trifluoromethyl)quinolin-4-amine

8-phenyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 62204120) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 8-phenyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name8-phenyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID62204120
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Name8-phenyl-2-(trifluoromethyl)quinolin-4-amine
SMILESNc1cc(C(F)(F)F)nc2c(-c3ccccc3)cccc12
InChIInChI=1S/C16H11F3N2/c17-16(18,19)14-9-13(20)12-8-4-7-11(15(12)21-14)10-5-2-1-3-6-10/h1-9H,(H2,20,21)
InChIKeyNVSYXIOQNBTSOV-UHFFFAOYSA-N
XLogP4.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 8-phenyl-2-(trifluoromethyl)quinolin-4-amine (CID 62204120) is 8-phenyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 8-phenyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 8-phenyl-2-(trifluoromethyl)quinolin-4-amine is Nc1cc(C(F)(F)F)nc2c(-c3ccccc3)cccc12.
What is the InChIKey of 8-phenyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is NVSYXIOQNBTSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c17-16(18,19)14-9-13(20)12-8-4-7-11(15(12)21-14)10-5-2-1-3-6-10/h1-9H,(H2,20,21).
What are the key properties of 8-phenyl-2-(trifluoromethyl)quinolin-4-amine?
8-phenyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 288.27 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 62204120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).