ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate

C11H20F3NO2 — CID 106488875

IUPACethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate
SMILESCCOC(=O)C(CN)(CC(C)C)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-4-17-9(16)10(7-15,5-8(2)3)6-11(12,13)14/h8H,4-7,15H2,1-3H3
InChIKeyKBJBPFPNETZELE-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.49
Rot. Bonds6

About ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate

ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate (PubChem CID 106488875) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate
PubChem CID106488875
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Nameethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate
SMILESCCOC(=O)C(CN)(CC(C)C)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-4-17-9(16)10(7-15,5-8(2)3)6-11(12,13)14/h8H,4-7,15H2,1-3H3
InChIKeyKBJBPFPNETZELE-UHFFFAOYSA-N
XLogP2.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate
CID 106488843
ethyl 2-(aminomethyl)-2-(3-methoxypropyl)-4-methylpentanoate
CID 106488906
ethyl 2-(aminomethyl)-2-(cyclobutylmethyl)-4-methylpentanoate
CID 106488952
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate
CID 106488918
ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate
CID 106488870
ethyl (2S)-2-amino-4-methyl-2-(trifluoromethyl)pentanoate
CID 15858333
diethyl 2-(2,2-dimethoxyethyl)-2-(2,2,2-trifluoroethyl)propanedioate
CID 172594741
ethyl 2,2-difluoro-3-hydroxy-3,5-dimethylhexanoate
CID 62398575
2-ethoxycarbonyl-5,5,5-trifluoro-2-(2-methylpropyl)pentanoic acid
CID 103973958
ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate
CID 106487510
2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid
CID 106706834
ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate
CID 14273517

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate?
The IUPAC name of ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate (CID 106488875) is ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate is CCOC(=O)C(CN)(CC(C)C)CC(F)(F)F.
What is the InChIKey of ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate?
The InChIKey is KBJBPFPNETZELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-4-17-9(16)10(7-15,5-8(2)3)6-11(12,13)14/h8H,4-7,15H2,1-3H3.
What are the key properties of ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate?
ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate has a molecular weight of 255.28 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate is sourced from PubChem (CID 106488875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).