6-(trifluoromethyl)-4aH-quinolin-2-imine

C10H7F3N2 — CID 146674771

IUPAC6-(trifluoromethyl)-4aH-quinolin-2-imine
SMILES[H]/N=C1\C=CC2C=C(C(F)(F)F)C=CC2=N1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(14)15-8/h1-6,14H/b14-9+
InChIKeyPOFYTQCZTZEHED-NTEUORMPSA-N
MW212.17 g/mol
LogP2.65
Rot. Bonds

About 6-(trifluoromethyl)-4aH-quinolin-2-imine

6-(trifluoromethyl)-4aH-quinolin-2-imine (PubChem CID 146674771) has the molecular formula C10H7F3N2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4aH-quinolin-2-imine.

Molecular Properties

Compound Name6-(trifluoromethyl)-4aH-quinolin-2-imine
PubChem CID146674771
Molecular FormulaC10H7F3N2
Molecular Weight212.17 g/mol
Exact Mass212.06
IUPAC Name6-(trifluoromethyl)-4aH-quinolin-2-imine
SMILES[H]/N=C1\C=CC2C=C(C(F)(F)F)C=CC2=N1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(14)15-8/h1-6,14H/b14-9+
InChIKeyPOFYTQCZTZEHED-NTEUORMPSA-N
XLogP2.65
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Quinoline-2,3-diimine
CID 53957013
2,8-Bis(imino)quinoline
CID 69669048
2-chloro-7-fluoro-4aH-quinazolin-4-imine
CID 146674753
8-(trifluoromethyl)-4aH-quinolin-2-imine
CID 146674756
8-(trifluoromethyl)-8aH-isoquinolin-3-imine
CID 156594135
3H-quinolin-2-imine
CID 101216919
6H-quinolin-6-ylium-2-imine
CID 136697249

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4aH-quinolin-2-imine?
The IUPAC name of 6-(trifluoromethyl)-4aH-quinolin-2-imine (CID 146674771) is 6-(trifluoromethyl)-4aH-quinolin-2-imine.
What is the SMILES notation for 6-(trifluoromethyl)-4aH-quinolin-2-imine?
The canonical SMILES for 6-(trifluoromethyl)-4aH-quinolin-2-imine is [H]/N=C1\C=CC2C=C(C(F)(F)F)C=CC2=N1.
What is the InChIKey of 6-(trifluoromethyl)-4aH-quinolin-2-imine?
The InChIKey is POFYTQCZTZEHED-NTEUORMPSA-N. The full InChI is InChI=1S/C10H7F3N2/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(14)15-8/h1-6,14H/b14-9+.
What are the key properties of 6-(trifluoromethyl)-4aH-quinolin-2-imine?
6-(trifluoromethyl)-4aH-quinolin-2-imine has a molecular weight of 212.17 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4aH-quinolin-2-imine is sourced from PubChem (CID 146674771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).