2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate

C11H18F3NO2 — CID 175375923

IUPAC2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate
SMILESNCC1(CCOC(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)9(16)17-7-6-10(8-15)4-2-1-3-5-10/h1-8,15H2
InChIKeyXFYCHNMSFWEERM-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.39
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate

2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate (PubChem CID 175375923) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate
PubChem CID175375923
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate
SMILESNCC1(CCOC(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)9(16)17-7-6-10(8-15)4-2-1-3-5-10/h1-8,15H2
InChIKeyXFYCHNMSFWEERM-UHFFFAOYSA-N
XLogP2.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 156898276
CID 156898276
CID 156898281
CID 156898281
CID 62724282
CID 62724282
CID 62724691
CID 62724691
CID 65389987
CID 65389987
CID 91658645
CID 91658645
CID 144957901
CID 144957901
CID 144957902
CID 144957902

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate (CID 175375923) is 2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate is NCC1(CCOC(=O)C(F)(F)F)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate?
The InChIKey is XFYCHNMSFWEERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)9(16)17-7-6-10(8-15)4-2-1-3-5-10/h1-8,15H2.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate?
2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate has a molecular weight of 253.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 175375923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).