2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide

C12H21F3N2O2 — CID 79810778

IUPAC2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide
SMILESCC1CCCC(CO)(NC(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-8-4-3-5-11(6-8,7-18)17-9(19)10(2,16)12(13,14)15/h8,18H,3-7,16H2,1-2H3,(H,17,19)
InChIKeyAYRHRHYIHNXQTF-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.32
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide (PubChem CID 79810778) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide
PubChem CID79810778
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide
SMILESCC1CCCC(CO)(NC(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-8-4-3-5-11(6-8,7-18)17-9(19)10(2,16)12(13,14)15/h8,18H,3-7,16H2,1-2H3,(H,17,19)
InChIKeyAYRHRHYIHNXQTF-UHFFFAOYSA-N
XLogP1.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide (CID 79810778) is 2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide is CC1CCCC(CO)(NC(=O)C(C)(N)C(F)(F)F)C1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide?
The InChIKey is AYRHRHYIHNXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8-4-3-5-11(6-8,7-18)17-9(19)10(2,16)12(13,14)15/h8,18H,3-7,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide has a molecular weight of 282.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropanamide is sourced from PubChem (CID 79810778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).