[2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate

C10H15F3N2O3 — CID 66819144

IUPAC[2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESNC1CCC(NC(=O)COC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)9(17)18-5-8(16)15-7-3-1-6(14)2-4-7/h6-7H,1-5,14H2,(H,15,16)
InChIKeyPKDLEYVPWRWVPD-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.48
Rot. Bonds3

About [2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate

[2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 66819144) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is [2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID66819144
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name[2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESNC1CCC(NC(=O)COC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)9(17)18-5-8(16)15-7-3-1-6(14)2-4-7/h6-7H,1-5,14H2,(H,15,16)
InChIKeyPKDLEYVPWRWVPD-UHFFFAOYSA-N
XLogP0.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[Methyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68475368
[1-Oxo-1-(piperidin-4-ylamino)propan-2-yl] 2,2,2-trifluoroacetate
CID 90986997
[2-[Ethyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 137369412
[2-Oxo-2-[piperidin-4-yl(propyl)amino]ethyl] 2,2,2-trifluoroacetate
CID 155407879
[2-[2,2-Difluoropropyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 155407897
[2-(4-Aminopiperidin-1-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 156793229
Ethyl 2-((4,4-difluorocyclohexyl)amino)-2-oxoacetate
CID 164512562
[2-oxo-2-[[(3S)-piperidin-3-yl]amino]ethyl] 2,2,2-trifluoroacetate
CID 166721318
[2-oxo-2-[[(3R)-piperidin-3-yl]amino]ethyl] 2,2,2-trifluoroacetate
CID 166721338
[2-[Methyl-[4-(methylamino)cyclohexyl]amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 170305902
(N-cyclohexylcarbamoyl)methyl acetate
CID 717378
Diethyl N,N'-cyclohexane-1,4-diyldioxalamate
CID 139068285

Frequently Asked Questions

What is the IUPAC name of [2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate (CID 66819144) is [2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate is NC1CCC(NC(=O)COC(=O)C(F)(F)F)CC1.
What is the InChIKey of [2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is PKDLEYVPWRWVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)9(17)18-5-8(16)15-7-3-1-6(14)2-4-7/h6-7H,1-5,14H2,(H,15,16).
What are the key properties of [2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 268.23 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-aminocyclohexyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 66819144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).