2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine

C12H9F3N2 — CID 55188737

IUPAC2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine
SMILESNc1cc(C2CC2)nc2c(F)c(F)c(F)cc12
InChIInChI=1S/C12H9F3N2/c13-7-3-6-8(16)4-9(5-1-2-5)17-12(6)11(15)10(7)14/h3-5H,1-2H2,(H2,16,17)
InChIKeyVIYBGNHOSIXKPJ-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.11
Rot. Bonds1

About 2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine

2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine (PubChem CID 55188737) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine
PubChem CID55188737
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine
SMILESNc1cc(C2CC2)nc2c(F)c(F)c(F)cc12
InChIInChI=1S/C12H9F3N2/c13-7-3-6-8(16)4-9(5-1-2-5)17-12(6)11(15)10(7)14/h3-5H,1-2H2,(H2,16,17)
InChIKeyVIYBGNHOSIXKPJ-UHFFFAOYSA-N
XLogP3.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine?
The IUPAC name of 2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine (CID 55188737) is 2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine?
The canonical SMILES for 2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine is Nc1cc(C2CC2)nc2c(F)c(F)c(F)cc12.
What is the InChIKey of 2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine?
The InChIKey is VIYBGNHOSIXKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c13-7-3-6-8(16)4-9(5-1-2-5)17-12(6)11(15)10(7)14/h3-5H,1-2H2,(H2,16,17).
What are the key properties of 2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine?
2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine has a molecular weight of 238.21 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,7,8-trifluoroquinolin-4-amine is sourced from PubChem (CID 55188737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).