N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide

C12H20F3NO2 — CID 174797414

IUPACN-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide
SMILESCCOC1CCC(CCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-2-18-10-5-3-9(4-6-10)7-8-16-11(17)12(13,14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyOQLPSCAXDULBBP-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 174797414) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID174797414
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide
SMILESCCOC1CCC(CCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-2-18-10-5-3-9(4-6-10)7-8-16-11(17)12(13,14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyOQLPSCAXDULBBP-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide (CID 174797414) is N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide is CCOC1CCC(CCNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is OQLPSCAXDULBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-18-10-5-3-9(4-6-10)7-8-16-11(17)12(13,14)15/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 267.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxycyclohexyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 174797414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).