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

C11H19F3N2O2 — CID 114178740

IUPAC2-amino-3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NC1CCCCC1CO)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-10(15,11(12,13)14)9(18)16-8-5-3-2-4-7(8)6-17/h7-8,17H,2-6,15H2,1H3,(H,16,18)
InChIKeyOXIURSASJXWYHS-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.93
Rot. Bonds3

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

2-amino-3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide (PubChem CID 114178740) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide
PubChem CID114178740
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-amino-3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NC1CCCCC1CO)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-10(15,11(12,13)14)9(18)16-8-5-3-2-4-7(8)6-17/h7-8,17H,2-6,15H2,1H3,(H,16,18)
InChIKeyOXIURSASJXWYHS-UHFFFAOYSA-N
XLogP0.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.93
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-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide (CID 114178740) is 2-amino-3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide is CC(N)(C(=O)NC1CCCCC1CO)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide?
The InChIKey is OXIURSASJXWYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(15,11(12,13)14)9(18)16-8-5-3-2-4-7(8)6-17/h7-8,17H,2-6,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide has a molecular weight of 268.28 g/mol, XLogP of 0.93, 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-[2-(hydroxymethyl)cyclohexyl]-2-methylpropanamide is sourced from PubChem (CID 114178740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).