N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine

C9H17F3N2 — CID 116679782

IUPACN-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(CCC1CNC1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-2-14(7-9(10,11)12)4-3-8-5-13-6-8/h8,13H,2-7H2,1H3
InChIKeyJKWOZSAVRJNHHR-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.48
Rot. Bonds5

About N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine

N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 116679782) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID116679782
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCN(CCC1CNC1)CC(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-2-14(7-9(10,11)12)4-3-8-5-13-6-8/h8,13H,2-7H2,1H3
InChIKeyJKWOZSAVRJNHHR-UHFFFAOYSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 116679302
N,N-diethyl-2-[(3S)-pyrrolidin-3-yl]ethanamine
CID 126580755
2-[2-(azetidin-3-yl)ethyl-ethylamino]-N-ethylacetamide
CID 107390894
N-ethyl-2,2,2-trifluoro-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119930511
2-[2-(azetidin-3-yl)ethylsulfanyl]-N,N-diethylethanamine
CID 107392075
N'-[2-(azetidin-3-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 116679847
N,N-diethyl-N'-piperidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 64852960
2-cyclopentyl-N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
CID 114191629
1-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]piperidin-4-amine
CID 79328291
2-cyclobutyl-N,N-diethylethanamine
CID 142625062
magnesium;2-cyclopropyl-N,N-diethylethanamine;hydride
CID 174489756
(1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 137360448

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine (CID 116679782) is N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine is CCN(CCC1CNC1)CC(F)(F)F.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is JKWOZSAVRJNHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-14(7-9(10,11)12)4-3-8-5-13-6-8/h8,13H,2-7H2,1H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine?
N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 210.24 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 116679782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).