N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine

C13H20F6N2 — CID 134923673

IUPACN,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine
SMILESCCN(CC)C(=C(C(F)(F)F)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C13H20F6N2/c1-3-20(4-2)11(21-8-6-5-7-9-21)10(12(14,15)16)13(17,18)19/h3-9H2,1-2H3
InChIKeyAMFPKTIXAGUGSW-UHFFFAOYSA-N
MW318.31 g/mol
LogP4.15
Rot. Bonds4

About N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine

N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine (PubChem CID 134923673) has the molecular formula C13H20F6N2 and a molecular weight of 318.31 g/mol. Its IUPAC name is N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine
PubChem CID134923673
Molecular FormulaC13H20F6N2
Molecular Weight318.31 g/mol
Exact Mass318.15
IUPAC NameN,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine
SMILESCCN(CC)C(=C(C(F)(F)F)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C13H20F6N2/c1-3-20(4-2)11(21-8-6-5-7-9-21)10(12(14,15)16)13(17,18)19/h3-9H2,1-2H3
InChIKeyAMFPKTIXAGUGSW-UHFFFAOYSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine?
The IUPAC name of N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine (CID 134923673) is N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine.
What is the SMILES notation for N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine?
The canonical SMILES for N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine is CCN(CC)C(=C(C(F)(F)F)C(F)(F)F)N1CCCCC1.
What is the InChIKey of N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine?
The InChIKey is AMFPKTIXAGUGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6N2/c1-3-20(4-2)11(21-8-6-5-7-9-21)10(12(14,15)16)13(17,18)19/h3-9H2,1-2H3.
What are the key properties of N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine?
N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine has a molecular weight of 318.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3,3-trifluoro-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine is sourced from PubChem (CID 134923673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).