2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine

C10H17F3N2 — CID 158979568

IUPAC2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine
SMILESC=C(NCC(F)(F)F)[C@@H]1CCCCN1C
InChIInChI=1S/C10H17F3N2/c1-8(14-7-10(11,12)13)9-5-3-4-6-15(9)2/h9,14H,1,3-7H2,2H3/t9-/m0/s1
InChIKeyJOUZKEUQSRKIKJ-VIFPVBQESA-N
MW222.25 g/mol
LogP2.14
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine

2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine (PubChem CID 158979568) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine
PubChem CID158979568
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine
SMILESC=C(NCC(F)(F)F)[C@@H]1CCCCN1C
InChIInChI=1S/C10H17F3N2/c1-8(14-7-10(11,12)13)9-5-3-4-6-15(9)2/h9,14H,1,3-7H2,2H3/t9-/m0/s1
InChIKeyJOUZKEUQSRKIKJ-VIFPVBQESA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hex-1-en-2-yl-1-methyl-2-(trifluoromethyl)piperazine
CID 129028869
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine
CID 129084034
(Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine
CID 155330035
(Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine
CID 155330089
3-Methyl-1-[2-(trifluoromethyl)pent-1-en-3-yl]piperazine
CID 156129191
1-(5,5-Difluorohex-1-en-2-yl)-4-propan-2-ylpiperazine
CID 166844070
1-[5-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-2-yl]-N,N-dimethylethenamine
CID 168883344
1-[3-(Dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine
CID 171530885
ethane;2,2,2-trifluoro-N-methyl-N-[[5-[1-(methylamino)ethenyl]pyrrolidin-2-yl]methyl]ethanamine
CID 172335133
1-But-1-en-2-yl-3-(difluoromethyl)piperazine
CID 172384286
1-(3-Methylbut-1-en-2-yl)-3-(trifluoromethyl)piperazine
CID 172384573
1-(5-Fluorohept-1-en-3-yl)piperazine
CID 174315995

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine (CID 158979568) is 2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine is C=C(NCC(F)(F)F)[C@@H]1CCCCN1C.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine?
The InChIKey is JOUZKEUQSRKIKJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17F3N2/c1-8(14-7-10(11,12)13)9-5-3-4-6-15(9)2/h9,14H,1,3-7H2,2H3/t9-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine?
2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine has a molecular weight of 222.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[(2S)-1-methylpiperidin-2-yl]ethenyl]ethanamine is sourced from PubChem (CID 158979568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).