2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O2 — CID 106361092

IUPAC2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CCCCC1CO)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-8(11(19)16-7-12(13,14)15)17-10-5-3-2-4-9(10)6-18/h8-10,17-18H,2-7H2,1H3,(H,16,19)
InChIKeyAIEYXTLCOBJUOA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.19
Rot. Bonds5

About 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106361092) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106361092
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CCCCC1CO)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-8(11(19)16-7-12(13,14)15)17-10-5-3-2-4-9(10)6-18/h8-10,17-18H,2-7H2,1H3,(H,16,19)
InChIKeyAIEYXTLCOBJUOA-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106361092) is 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NC1CCCCC1CO)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is AIEYXTLCOBJUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8(11(19)16-7-12(13,14)15)17-10-5-3-2-4-9(10)6-18/h8-10,17-18H,2-7H2,1H3,(H,16,19).
What are the key properties of 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106361092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).