N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide

C10H17F3N2O2 — CID 63870963

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide
SMILESNC1CCC(OCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)9(16)15-5-6-17-8-3-1-7(14)2-4-8/h7-8H,1-6,14H2,(H,15,16)
InChIKeyWWLRHWJDKIWSHA-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.95
Rot. Bonds4

About N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide (PubChem CID 63870963) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide
PubChem CID63870963
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide
SMILESNC1CCC(OCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)9(16)15-5-6-17-8-3-1-7(14)2-4-8/h7-8H,1-6,14H2,(H,15,16)
InChIKeyWWLRHWJDKIWSHA-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide (CID 63870963) is N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide is NC1CCC(OCCNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide?
The InChIKey is WWLRHWJDKIWSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)9(16)15-5-6-17-8-3-1-7(14)2-4-8/h7-8H,1-6,14H2,(H,15,16).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide has a molecular weight of 254.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 63870963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).