6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine

C9H16F2N2 — CID 176942183

IUPAC6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine
SMILESCC1=C(C(C)(F)F)NCC(C)C1N
InChIInChI=1S/C9H16F2N2/c1-5-4-13-8(9(3,10)11)6(2)7(5)12/h5,7,13H,4,12H2,1-3H3
InChIKeyFKDILICDRMSZCG-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.48
Rot. Bonds1

About 6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine

6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine (PubChem CID 176942183) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine
PubChem CID176942183
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine
SMILESCC1=C(C(C)(F)F)NCC(C)C1N
InChIInChI=1S/C9H16F2N2/c1-5-4-13-8(9(3,10)11)6(2)7(5)12/h5,7,13H,4,12H2,1-3H3
InChIKeyFKDILICDRMSZCG-UHFFFAOYSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine?
The IUPAC name of 6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine (CID 176942183) is 6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine?
The canonical SMILES for 6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine is CC1=C(C(C)(F)F)NCC(C)C1N.
What is the InChIKey of 6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine?
The InChIKey is FKDILICDRMSZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-5-4-13-8(9(3,10)11)6(2)7(5)12/h5,7,13H,4,12H2,1-3H3.
What are the key properties of 6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine?
6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine has a molecular weight of 190.24 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-3,5-dimethyl-1,2,3,4-tetrahydropyridin-4-amine is sourced from PubChem (CID 176942183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).