N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine

C7H11F3N2 — CID 18428643

IUPACN-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESFC(F)(F)CNC1=NCCCC1
InChIInChI=1S/C7H11F3N2/c8-7(9,10)5-12-6-3-1-2-4-11-6/h1-5H2,(H,11,12)
InChIKeyHXRKWCYRVLWBEK-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.72
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 18428643) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID18428643
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC NameN-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESFC(F)(F)CNC1=NCCCC1
InChIInChI=1S/C7H11F3N2/c8-7(9,10)5-12-6-3-1-2-4-11-6/h1-5H2,(H,11,12)
InChIKeyHXRKWCYRVLWBEK-UHFFFAOYSA-N
XLogP1.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[3-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-yl]ethane-1,2-diamine
CID 18428550
N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydroiodide
CID 18428642
5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine
CID 58801098
2-(2,2,3,3-Tetrafluoropropyl)-1,4,5,6-tetrahydropyrimidine
CID 89645915
2-(2,2,2-Trifluoroethyl)-1,4,5,6-tetrahydropyrimidine
CID 89646507
2-ethyl-5,5-difluoro-4,6-dihydro-1H-pyrimidine
CID 139430227
N'-methyl-N-(3,3,3-trifluoropropyl)ethanimidamide
CID 143692266
5,5-difluoro-2-methyl-4,6-dihydro-1H-pyrimidine;ethane
CID 156753723
2-(4-fluorobutyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 169224226
N-butyl-N'-(2,2,2-trifluoroethyl)propanimidamide
CID 169804834
CID 173485490
CID 173485490
2-(1,1,2,2,3,3,4,4-Octafluorobutyl)-1,4,5,6-tetrahydropyrimidine
CID 16742295

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 18428643) is N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine is FC(F)(F)CNC1=NCCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is HXRKWCYRVLWBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c8-7(9,10)5-12-6-3-1-2-4-11-6/h1-5H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 180.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 18428643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).