N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid

C10H17F3N2O3 — CID 66819143

IUPACN-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NC1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-6(11)10-8-4-2-7(9)3-5-8;3-2(4,5)1(6)7/h7-8H,2-5,9H2,1H3,(H,10,11);(H,6,7)
InChIKeyKOSZSHIINSGPHL-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.03
Rot. Bonds1

About N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid

N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 66819143) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID66819143
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC NameN-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)NC1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-6(11)10-8-4-2-7(9)3-5-8;3-2(4,5)1(6)7/h7-8H,2-5,9H2,1H3,(H,10,11);(H,6,7)
InChIKeyKOSZSHIINSGPHL-UHFFFAOYSA-N
XLogP1.03
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid (CID 66819143) is N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid is CC(=O)NC1CCC(N)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is KOSZSHIINSGPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2HF3O2/c1-6(11)10-8-4-2-7(9)3-5-8;3-2(4,5)1(6)7/h7-8H,2-5,9H2,1H3,(H,10,11);(H,6,7).
What are the key properties of N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid?
N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 270.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66819143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).