N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide

C11H19F3N2O2 — CID 103212917

IUPACN-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCC1(NC(=O)COCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-18-6-9(17)16-10(7-15)4-2-1-3-5-10/h1-8,15H2,(H,16,17)
InChIKeyVBFIIEYPAUMPED-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.34
Rot. Bonds5

About N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212917) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212917
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCC1(NC(=O)COCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-18-6-9(17)16-10(7-15)4-2-1-3-5-10/h1-8,15H2,(H,16,17)
InChIKeyVBFIIEYPAUMPED-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212917) is N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide is NCC1(NC(=O)COCC(F)(F)F)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is VBFIIEYPAUMPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-18-6-9(17)16-10(7-15)4-2-1-3-5-10/h1-8,15H2,(H,16,17).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).