3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine

C12H18F2N2 — CID 160668446

IUPAC3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine
SMILESNCC(F)(F)CC1=NC2CCCCC2C=C1
InChIInChI=1S/C12H18F2N2/c13-12(14,8-15)7-10-6-5-9-3-1-2-4-11(9)16-10/h5-6,9,11H,1-4,7-8,15H2
InChIKeyFYVODSUHUVJRAU-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.54
Rot. Bonds3

About 3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine

3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine (PubChem CID 160668446) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine
PubChem CID160668446
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine
SMILESNCC(F)(F)CC1=NC2CCCCC2C=C1
InChIInChI=1S/C12H18F2N2/c13-12(14,8-15)7-10-6-5-9-3-1-2-4-11(9)16-10/h5-6,9,11H,1-4,7-8,15H2
InChIKeyFYVODSUHUVJRAU-UHFFFAOYSA-N
XLogP2.54
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinolin-1-ium
CID 71252704
2-(Trifluoromethyl)-2,3,4,4a-tetrahydroquinoline
CID 71252705
2-Propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
CID 134228469

Frequently Asked Questions

What is the IUPAC name of 3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine?
The IUPAC name of 3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine (CID 160668446) is 3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine is NCC(F)(F)CC1=NC2CCCCC2C=C1.
What is the InChIKey of 3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine?
The InChIKey is FYVODSUHUVJRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c13-12(14,8-15)7-10-6-5-9-3-1-2-4-11(9)16-10/h5-6,9,11H,1-4,7-8,15H2.
What are the key properties of 3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine?
3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine has a molecular weight of 228.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4a,5,6,7,8,8a-hexahydroquinolin-2-yl)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 160668446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).