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

C12H21F3N2O2 — CID 79811147

IUPAC2-amino-3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCC1CCCCC1CO)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-11(16,12(13,14)15)10(19)17-6-8-4-2-3-5-9(8)7-18/h8-9,18H,2-7,16H2,1H3,(H,17,19)
InChIKeyWGKLMMHAWVQUAE-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.18
Rot. Bonds4

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

2-amino-3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide (PubChem CID 79811147) 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-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide
PubChem CID79811147
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-amino-3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCC1CCCCC1CO)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-11(16,12(13,14)15)10(19)17-6-8-4-2-3-5-9(8)7-18/h8-9,18H,2-7,16H2,1H3,(H,17,19)
InChIKeyWGKLMMHAWVQUAE-UHFFFAOYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.18
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]methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide (CID 79811147) is 2-amino-3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide is CC(N)(C(=O)NCC1CCCCC1CO)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide?
The InChIKey is WGKLMMHAWVQUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-11(16,12(13,14)15)10(19)17-6-8-4-2-3-5-9(8)7-18/h8-9,18H,2-7,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-methylpropanamide has a molecular weight of 282.31 g/mol, XLogP of 1.18, 4 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]methyl]-2-methylpropanamide is sourced from PubChem (CID 79811147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).