2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide

C12H19F3N2O2 — CID 121439145

IUPAC2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide
SMILESCC(=O)N(CC(F)(F)F)C1CCC(CC(N)=O)CC1
InChIInChI=1S/C12H19F3N2O2/c1-8(18)17(7-12(13,14)15)10-4-2-9(3-5-10)6-11(16)19/h9-10H,2-7H2,1H3,(H2,16,19)
InChIKeyRBFNDZJUVBKMLU-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.83
Rot. Bonds4

About 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide

2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide (PubChem CID 121439145) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide
PubChem CID121439145
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide
SMILESCC(=O)N(CC(F)(F)F)C1CCC(CC(N)=O)CC1
InChIInChI=1S/C12H19F3N2O2/c1-8(18)17(7-12(13,14)15)10-4-2-9(3-5-10)6-11(16)19/h9-10H,2-7H2,1H3,(H2,16,19)
InChIKeyRBFNDZJUVBKMLU-UHFFFAOYSA-N
XLogP1.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide?
The IUPAC name of 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide (CID 121439145) is 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide?
The canonical SMILES for 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide is CC(=O)N(CC(F)(F)F)C1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide?
The InChIKey is RBFNDZJUVBKMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-8(18)17(7-12(13,14)15)10-4-2-9(3-5-10)6-11(16)19/h9-10H,2-7H2,1H3,(H2,16,19).
What are the key properties of 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide?
2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide has a molecular weight of 280.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide is sourced from PubChem (CID 121439145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).